1-(3-chlorophenyl)-N-[(3-chlorophenyl)methyl]-9H-pyrido[3,4-b]indole-3-carboxamide
Formula:C25H17N3OCl2
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
1-(3-chlorophenyl)-N-[(3-chlorophenyl)methyl]-9H-pyrido[3,4-b]indole-3-carboxamide is not a drug-like molecule.
| MolName | 1-(3-chlorophenyl)-N-[(3-chlorophenyl)methyl]-9H-pyrido[3,4-b]indole-3-carboxamide |
| MolecularFormula | C25H17N3OCl2 |
| Smiles | O=C(c(nc1-c2cccc(Cl)c2)cc2c1[nH]c1c2cccc1)NCc1cc(Cl)ccc1 |
| InChI | InChI=1S/C25H17Cl2N3O/c26-17-7-3-5-15(11-17)14-28-25(31)22-13-20-19-9-1-2-10-21(19)29-24(20)23(30-22)16-6-4-8-18(27)12-16/h1-13,29H,14H2,(H,28,31) |
| InChIK | SDYWTGSONZFABO-UHFFFAOYSA-N |
| TotalMolweight | 446.336 |
| Molweight | 446.336 |
| MonoisotopicMass | 445.074866 |
| CLogP | 5.8881 |
| CLogS | -7.449 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 324.12 |
| Relative PSA | 0.1526 |
| PolarSurfaceArea | 57.78 |
| Druglikeness | 1.3541 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.45161 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 25 |
| Sp3Atoms | 1 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 1-(3-chlorophenyl)-N-[(3-chlorophenyl)methyl]-9H-pyrido[3,4-b]indole-3-carboxamide | 2 - 1-(3-chlorophenyl)-N-[(3-chlorophenyl)methyl]-9H-pyrido[3,4-b]indole-3-carboxamide
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