N-benzyl-1-phenyl-9H-pyrido[3,4-b]indole-3-carboxamide
Formula:C25H19N3O
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
N-benzyl-1-phenyl-9H-pyrido[3,4-b]indole-3-carboxamide is a drug-like molecule.
| MolName | N-benzyl-1-phenyl-9H-pyrido[3,4-b]indole-3-carboxamide |
| MolecularFormula | C25H19N3O |
| Smiles | O=C(c1nc(-c2ccccc2)c2[nH]c(cccc3)c3c2c1)NCc1ccccc1 |
| InChI | InChI=1S/C25H19N3O/c29-25(26-16-17-9-3-1-4-10-17)22-15-20-19-13-7-8-14-21(19)27-24(20)23(28-22)18-11-5-2-6-12-18/h1-15,27H,16H2,(H,26,29) |
| InChIK | MNKPLEAYPJZSHR-UHFFFAOYSA-N |
| TotalMolweight | 377.446 |
| Molweight | 377.446 |
| MonoisotopicMass | 377.152812 |
| CLogP | 4.6761 |
| CLogS | -5.977 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 293.28 |
| Relative PSA | 0.16864 |
| PolarSurfaceArea | 57.78 |
| Druglikeness | 1.295 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48276 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 25 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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