1-(2-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-9H-pyrido[3,4-b]indole-3-carboxamide
Formula:C24H20N5OCl
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
1-(2-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-9H-pyrido[3,4-b]indole-3-carboxamide is a drug-like molecule.
| MolName | 1-(2-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-9H-pyrido[3,4-b]indole-3-carboxamide |
| MolecularFormula | C24H20N5OCl |
| Smiles | O=C(c(nc1-c(cccc2)c2Cl)cc2c1[nH]c1c2cccc1)NCCCn1cncc1 |
| InChI | InChI=1S/C24H20ClN5O/c25-19-8-3-1-7-17(19)22-23-18(16-6-2-4-9-20(16)28-23)14-21(29-22)24(31)27-10-5-12-30-13-11-26-15-30/h1-4,6-9,11,13-15,28H,5,10,12H2,(H,27,31) |
| InChIK | YQCYOULFVJJCNR-UHFFFAOYSA-N |
| TotalMolweight | 429.91 |
| Molweight | 429.91 |
| MonoisotopicMass | 429.135637 |
| CLogP | 3.9561 |
| CLogS | -5.075 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 324.18 |
| Relative PSA | 0.2076 |
| PolarSurfaceArea | 75.6 |
| Druglikeness | 4.6245 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48387 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 3 |
| Amides | 1 |
| Aromatic Nitrogens | 4 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 1-(2-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-9H-pyrido[3,4-b]indole-3-carboxamide | 2 - 1-(2-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-9H-pyrido[3,4-b]indole-3-carboxamide
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