1-(2-chlorophenyl)-N-[(2S)-2-hydroxy-2-phenylethyl]-9H-pyrido[3,4-b]indole-3-carboxamide
Formula:C26H20N3O2Cl
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
1-(2-chlorophenyl)-N-[(2S)-2-hydroxy-2-phenylethyl]-9H-pyrido[3,4-b]indole-3-carboxamide is a drug-like molecule.
| MolName | 1-(2-chlorophenyl)-N-[(2S)-2-hydroxy-2-phenylethyl]-9H-pyrido[3,4-b]indole-3-carboxamide |
| MolecularFormula | C26H20N3O2Cl |
| Smiles | O[C@H](CNC(c(nc1-c(cccc2)c2Cl)cc2c1[nH]c1c2cccc1)=O)c1ccccc1 |
| InChI | InChI=1S/C26H20ClN3O2/c27-20-12-6-4-11-18(20)24-25-19(17-10-5-7-13-21(17)29-25)14-22(30-24)26(32)28-15-23(31)16-8-2-1-3-9-16/h1-14,23,29,31H,15H2,(H,28,32)/t23-/m1/s1 |
| InChIK | FOESLKQBDXHNDH-HSZRJFAPSA-N |
| TotalMolweight | 441.917 |
| Molweight | 441.917 |
| MonoisotopicMass | 441.124404 |
| CLogP | 4.6421 |
| CLogS | -6.277 |
| H Acceptors | 5 |
| H Donors | 3 |
| TotalSurfaceArea | 327.55 |
| Relative PSA | 0.19099 |
| PolarSurfaceArea | 78.01 |
| Druglikeness | 3.2305 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46875 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 25 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon | this enantiomer |
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1 - 1-(2-chlorophenyl)-N-[(2S)-2-hydroxy-2-phenylethyl]-9H-pyrido[3,4-b]indole-3-carboxamide | 2 - 1-(2-chlorophenyl)-N-[(2S)-2-hydroxy-2-phenylethyl]-9H-pyrido[3,4-b]indole-3-carboxamide
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