1-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-9H-pyrido[3,4-b]indole-3-carboxamide
Formula:C25H17N3OF2
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
1-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-9H-pyrido[3,4-b]indole-3-carboxamide is a drug-like molecule.
| MolName | 1-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-9H-pyrido[3,4-b]indole-3-carboxamide |
| MolecularFormula | C25H17N3OF2 |
| Smiles | O=C(c(nc1-c(cc2)ccc2F)cc2c1[nH]c1c2cccc1)NCc(cc1)ccc1F |
| InChI | InChI=1S/C25H17F2N3O/c26-17-9-5-15(6-10-17)14-28-25(31)22-13-20-19-3-1-2-4-21(19)29-24(20)23(30-22)16-7-11-18(27)12-8-16/h1-13,29H,14H2,(H,28,31) |
| InChIK | NTUVWIOPRCSAHX-UHFFFAOYSA-N |
| TotalMolweight | 413.426 |
| Molweight | 413.426 |
| MonoisotopicMass | 413.133968 |
| CLogP | 4.8777 |
| CLogS | -6.605 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 305.98 |
| Relative PSA | 0.16164 |
| PolarSurfaceArea | 57.78 |
| Druglikeness | -0.045 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51613 |
| 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 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 1-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-9H-pyrido[3,4-b]indole-3-carboxamide | 2 - 1-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-9H-pyrido[3,4-b]indole-3-carboxamide
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