STK049188
CAS Number: 6239-43-6
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CCC(N(C1c2cnccc2)c(cccc2)c2NC(CC(C2)c3ccccc3)=C1C2=O)=O
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C27H25N3O2
Molecular Weight
423.515
Drug-likeness
4.1024
CAS
6239-43-6
InChI key
GWIFMXIJQVIINZ-UHFFFAOYSA-N
SMILES
CCC(N(C1c2cnccc2)c(cccc2)c2NC(CC(C2)c3ccccc3)=C1C2=O)=O
ChemrytIQ
CAS Information Snapshot
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
| Property | Value |
| CAS Number | 6239-43-6 |
| Molecule Name | STK049188 |
| Molecular Formula | C27H25N3O2 |
| SMILES | CCC(N(C1c2cnccc2)c(cccc2)c2NC(CC(C2)c3ccccc3)=C1C2=O)=O |
| InChI | InChI=1S/C27H25N3O2/c1-2-25(32)30-23-13-7-6-12-21(23)29-22-15-20(18-9-4-3-5-10-18)16-24(31)26(22)27(30)19-11-8-14-28-17-19/h3-14,17,20,27,29H,2,15-16H2,1H3 |
| InChI Key | GWIFMXIJQVIINZ-UHFFFAOYSA-N |
| CanonicalSyTyLFy | 679acb46faaab670 |
| TotalMolweight | 423.515 |
| Molecular Weight | 423.515 |
| MonoisotopicMass | 423.194677 |
| CLogP | 4.5331 |
| CLogS | -5.094 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 323.26 |
| Relative PSA | 0.16105 |
| PolarSurfaceArea | 62.3 |
| Drug-likeness | 4.1024 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.40625 |
| Molecula Flexibility | 0.27292 |
| Molecular Complexity | 0.96072 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 2 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon | unknown chirality |
| Property | Value |
| CAS Number | 6239-43-6 |
| Molecule Name | STK049188 |
| Molecular Formula | C27H25N3O2 |
| SMILES | CCC(N(C1c2cnccc2)c(cccc2)c2NC(CC(C2)c3ccccc3)=C1C2=O)=O |
| InChI | InChI=1S/C27H25N3O2/c1-2-25(32)30-23-13-7-6-12-21(23)29-22-15-20(18-9-4-3-5-10-18)16-24(31)26(22)27(30)19-11-8-14-28-17-19/h3-14,17,20,27,29H,2,15-16H2,1H3 |
| InChI Key | GWIFMXIJQVIINZ-UHFFFAOYSA-N |
| CanonicalSyTyLFy | 679acb46faaab670 |
| TotalMolweight | 423.515 |
| Molecular Weight | 423.515 |
| MonoisotopicMass | 423.194677 |
| CLogP | 4.5331 |
| CLogS | -5.094 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 323.26 |
| Relative PSA | 0.16105 |
| PolarSurfaceArea | 62.3 |
| Drug-likeness | 4.1024 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.40625 |
| Molecula Flexibility | 0.27292 |
| Molecular Complexity | 0.96072 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 2 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon | unknown chirality |
| Property | Value |
| CAS Number | 6239-43-6 |
| Molecule Name | STK049188 |
| Molecular Formula | C27H25N3O2 |
| SMILES | CCC(N(C1c2cnccc2)c(cccc2)c2NC(CC(C2)c3ccccc3)=C1C2=O)=O |
| InChI | InChI=1S/C27H25N3O2/c1-2-25(32)30-23-13-7-6-12-21(23)29-22-15-20(18-9-4-3-5-10-18)16-24(31)26(22)27(30)19-11-8-14-28-17-19/h3-14,17,20,27,29H,2,15-16H2,1H3 |
| InChI Key | GWIFMXIJQVIINZ-UHFFFAOYSA-N |
| CanonicalSyTyLFy | 679acb46faaab670 |
| TotalMolweight | 423.515 |
| Molecular Weight | 423.515 |
| MonoisotopicMass | 423.194677 |
| CLogP | 4.5331 |
| CLogS | -5.094 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 323.26 |
| Relative PSA | 0.16105 |
| PolarSurfaceArea | 62.3 |
| Drug-likeness | 4.1024 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.40625 |
| Molecula Flexibility | 0.27292 |
| Molecular Complexity | 0.96072 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 2 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon | unknown chirality |
Related CAS
Randomized CAS records for additional exploration.
| CAS Number | Mutagenic | Tumorigenic | Irritant | Molecule Formula | Mol Weight | Druglikeness | ChemrytIQ |
| 10003-69-7 | none | none | none | C10H14O8S4 | 390.477 | 0.2775 | ChemrytIQ |
| 100021-46-3 | none | none | none | C9H11NO2 | 165.191 | -3.1955 | ChemrytIQ |
| 100-52-7 | high | high | high | C7H6O | 106.124 | -4.225 | ChemrytIQ |
| 100005-44-5 | high | none | low | C7H5O2ClS | 188.634 | -11.771 | ChemrytIQ |
| 100010-21-7 | none | none | none | C14H21NO | 219.327 | -4.2999 | ChemrytIQ |
| 1000-46-0 | none | none | none | C7H18Ge | 174.83 | -4.6976 | ChemrytIQ |
| 100007-67-8 | high | none | low | C5H7OClF2 | 156.559 | -12.702 | ChemrytIQ |
| 100-12-9 | none | none | none | C8H9NO2 | 151.164 | -7.7443 | ChemrytIQ |
| 10003-42-6 | none | none | none | C11H11NO4 | 221.211 | -4.7046 | ChemrytIQ |
| 100012-49-5 | none | none | none | C10H2O4Br4 | 505.738 | -8.4981 | ChemrytIQ |
| 100004-93-1 | none | high | none | C16H11NO2 | 249.268 | -1.5746 | ChemrytIQ |
| 1000018-39-2 | high | high | low | C13H20N2O2S | 268.38 | 1.9315 | ChemrytIQ |
| 100021-79-2 | none | high | high | C16H32O2.C2H8N2 | 256.428 | -25.216 | ChemrytIQ |
| 1000-77-7 | high | high | none | HCl.C6H15NO6S2 | 261.318 | 1.5333 | ChemrytIQ |
| 10001-52-2 | high | high | none | C11H10N6O3S | 306.305 | 6.7202 | ChemrytIQ |
| 100-44-7 | high | high | none | C7H7Cl | 126.586 | -2.365 | ChemrytIQ |
| 100021-84-9 | high | high | high | H3O4P.C18H36O2.C2H8N2 | 284.482 | -25.216 | ChemrytIQ |
| 100004-54-4 | none | high | none | C4H8Te | 183.708 | -3.9699 | ChemrytIQ |
| 10000-51-8 | none | none | none | C14H15NO3 | 245.277 | 0.10503 | ChemrytIQ |
| 1000018-22-3 | none | none | none | C16H22N3O4Br | 400.272 | -33.051 | ChemrytIQ |
| 100-61-8 | high | none | none | C7H9N | 107.155 | -0.23765 | ChemrytIQ |
| 100-26-5 | none | none | none | C7H5NO4 | 167.12 | -1.5746 | ChemrytIQ |
| 1000068-23-4 | none | low | none | C14H18NO5B | 291.11 | -44.603 | ChemrytIQ |
| 10-35-5 | none | none | none | C4H6O2BrF | 184.992 | -23.473 | ChemrytIQ |
| 100023-32-3 | high | high | none | CH3O4S.C20H19N2O | 303.384 | 0.7545 | ChemrytIQ |
| 100033-12-3 | none | none | none | C11H10N3O2Br | 296.123 | -13.354 | ChemrytIQ |
| 1000-63-1 | none | none | high | C8H18O | 130.23 | -19.78 | ChemrytIQ |
| 1000018-23-4 | none | none | none | C12H17N3O3 | 251.285 | 2.8124 | ChemrytIQ |
| 100-21-0 | high | none | high | C8H6O4 | 166.132 | -1.8442 | ChemrytIQ |
| 100009-01-6 | none | none | none | C15H13N3O3 | 283.286 | -2.3895 | ChemrytIQ |
| 10001-30-6 | none | none | none | C17H14O4 | 282.294 | -0.8408 | ChemrytIQ |
| 10001-82-8 | none | none | none | C24H26N4O5S | 482.559 | 9.4242 | ChemrytIQ |
| 100-90-3 | none | none | none | C14H16N4O3S | 320.372 | 4.7301 | ChemrytIQ |
| 1000025-93-3 | none | none | none | C20H17NO4 | 335.358 | -1.6731 | ChemrytIQ |
| 100-45-8 | none | none | high | C7H9N | 107.155 | -10.018 | ChemrytIQ |
| 100-86-7 | none | none | none | C10H14O | 150.22 | -2.4187 | ChemrytIQ |
| 100-48-1 | none | none | none | C6H4N2 | 104.112 | -6.0498 | ChemrytIQ |
| 1000018-26-7 | none | none | none | C16H23NO3 | 277.363 | -15.052 | ChemrytIQ |
| 100-69-6 | none | none | none | C7H7N | 105.14 | -4.4598 | ChemrytIQ |
| 100033-59-8 | none | none | none | C8H16N2 | 140.229 | 0.9406 | ChemrytIQ |
| 100-74-3 | high | none | high | C6H13NO | 115.175 | 3.7593 | ChemrytIQ |
| 100-91-4 | none | none | high | C17H25NO3 | 291.39 | 3.3475 | ChemrytIQ |
| 100009-99-2 | low | high | none | C21H25NO4 | 355.433 | 2.9337 | ChemrytIQ |
| 100-32-3 | none | none | none | C12H8N2O4S2 | 308.338 | -7.3436 | ChemrytIQ |
| 1000339-23-0 | none | none | none | C6H5N2O2Br | 217.022 | -3.3311 | ChemrytIQ |
| 100-94-7 | none | none | none | Cl.C16H20N | 226.342 | -1.9788 | ChemrytIQ |
| 100004-81-7 | none | none | none | C13H11NO3 | 229.234 | -1.3547 | ChemrytIQ |
| 1000-40-4 | high | none | low | C10H24S2Sn | 327.143 | -7.0269 | ChemrytIQ |
| 1000068-65-4 | none | none | none | C13H15NO4BF | 279.074 | -46.077 | ChemrytIQ |
| 10-13-2009 | none | none | none | C15H14O5 | 274.271 | -1.4702 | ChemrytIQ |
| 100-63-0 | high | high | none | C6H8N2 | 108.144 | -4.3224 | ChemrytIQ |
| 100-71-0 | none | none | none | C7H9N | 107.155 | -2.2725 | ChemrytIQ |
| 1000198-76-4 | none | none | none | C11H12NF3 | 215.217 | -5.8988 | ChemrytIQ |
| 1000339-27-4 | none | none | none | C14H8N3O3Br | 346.14 | -5.8142 | ChemrytIQ |
| 100007-87-2 | none | none | none | C16H9N2OBr | 325.164 | 0.88714 | ChemrytIQ |
| 100-17-4 | none | none | none | C7H7NO3 | 153.137 | -7.2945 | ChemrytIQ |
| 10002-30-9 | none | none | none | C12H9NOS | 215.275 | 0.083087 | ChemrytIQ |
| 100-16-3 | low | high | none | C6H7N3O2 | 153.141 | -9.8627 | ChemrytIQ |
| 100010-99-9 | none | none | none | C11H24O2 | 188.31 | -23.185 | ChemrytIQ |
| 100-19-6 | none | none | none | C8H7NO3 | 165.148 | -7.0365 | ChemrytIQ |