1-(4-fluorophenyl)-N-(2-hydroxy-2-phenylethyl)-9H-pyrido[3,4-b]indole-3-carboxamide
Formula:C26H20N3O2F
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
1-(4-fluorophenyl)-N-(2-hydroxy-2-phenylethyl)-9H-pyrido[3,4-b]indole-3-carboxamide is a drug-like molecule.
| MolName | 1-(4-fluorophenyl)-N-(2-hydroxy-2-phenylethyl)-9H-pyrido[3,4-b]indole-3-carboxamide |
| MolecularFormula | C26H20N3O2F |
| Smiles | OC(CNC(c(nc1-c(cc2)ccc2F)cc2c1[nH]c1c2cccc1)=O)c1ccccc1 |
| InChI | InChI=1S/C26H20FN3O2/c27-18-12-10-17(11-13-18)24-25-20(19-8-4-5-9-21(19)29-25)14-22(30-24)26(32)28-15-23(31)16-6-2-1-3-7-16/h1-14,23,29,31H,15H2,(H,28,32)/t23-/m0/s1 |
| InChIK | IPSYELIPXCQDCR-QHCPKHFHSA-N |
| TotalMolweight | 425.462 |
| Molweight | 425.462 |
| MonoisotopicMass | 425.153955 |
| CLogP | 4.1369 |
| CLogS | -5.855 |
| H Acceptors | 5 |
| H Donors | 3 |
| TotalSurfaceArea | 318.48 |
| Relative PSA | 0.19643 |
| PolarSurfaceArea | 78.01 |
| Druglikeness | 1.8466 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| 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 | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon | racemate |
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1 - 1-(4-fluorophenyl)-N-(2-hydroxy-2-phenylethyl)-9H-pyrido[3,4-b]indole-3-carboxamide | 2 - 1-(4-fluorophenyl)-N-(2-hydroxy-2-phenylethyl)-9H-pyrido[3,4-b]indole-3-carboxamide
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