N-[(Z)-[1-[(4-chlorophenyl)methyl]indol-3-yl]methylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine
Formula:C27H29N8Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-[1-[(4-chlorophenyl)methyl]indol-3-yl]methylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-[1-[(4-chlorophenyl)methyl]indol-3-yl]methylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine |
| MolecularFormula | C27H29N8Cl |
| Smiles | Clc1ccc(Cn2c(cccc3)c3c(/C=N\Nc3nc(N4CCCC4)nc(N4CCCC4)n3)c2)cc1 |
| InChI | InChI=1S/C27H29ClN8/c28-22-11-9-20(10-12-22)18-36-19-21(23-7-1-2-8-24(23)36)17-29-33-25-30-26(34-13-3-4-14-34)32-27(31-25)35-15-5-6-16-35/h1-2,7-12,17,19H,3-6,13-16,18H2,(H,30,31,32,33) |
| InChIK | HWOGWQUSQWBYHA-UHFFFAOYSA-N |
| TotalMolweight | 501.036 |
| Molweight | 501.036 |
| MonoisotopicMass | 500.220369 |
| CLogP | 7.3802 |
| CLogS | -6.493 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 381.94 |
| Relative PSA | 0.18288 |
| PolarSurfaceArea | 74.47 |
| Druglikeness | 4.4285 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 9 |
| Symmetricatoms | 11 |
| Aromatic Nitrogens | 4 |
| BasicNitrogens | 3 |
| StereoCon |
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1 - N-[(Z)-[1-[(4-chlorophenyl)methyl]indol-3-yl]methylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine | 2 - N-[(Z)-[1-[(4-chlorophenyl)methyl]indol-3-yl]methylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine
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