2-N-[(Z)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine
Formula:C26H20N7OF
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-N-[(Z)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine is not a drug-like molecule.
| MolName | 2-N-[(Z)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine |
| MolecularFormula | C26H20N7OF |
| Smiles | Fc(cc1)ccc1-c1ccc(/C=N\Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)o1 |
| InChI | InChI=1S/C26H20FN7O/c27-19-13-11-18(12-14-19)23-16-15-22(35-23)17-28-34-26-32-24(29-20-7-3-1-4-8-20)31-25(33-26)30-21-9-5-2-6-10-21/h1-17H,(H3,29,30,31,32,33,34) |
| InChIK | NBJXCQBBFYGBMD-UHFFFAOYSA-N |
| TotalMolweight | 465.491 |
| Molweight | 465.491 |
| MonoisotopicMass | 465.171336 |
| CLogP | 8.363 |
| CLogS | -8.265 |
| H Acceptors | 8 |
| H Donors | 3 |
| TotalSurfaceArea | 363.76 |
| Relative PSA | 0.25542 |
| PolarSurfaceArea | 100.26 |
| Druglikeness | 3.1723 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.54286 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 29 |
| Symmetricatoms | 13 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 3 |
| StereoCon |
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1 - 2-N-[(Z)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine | 2 - 2-N-[(Z)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine
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