N-[(Z)-[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine
Formula:C25H27N7OClF
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine |
| MolecularFormula | C25H27N7OClF |
| Smiles | Fc1ccc(COc(cc2)c(/C=N\Nc3nc(N4CCCC4)nc(N4CCCC4)n3)cc2Cl)cc1 |
| InChI | InChI=1S/C25H27ClFN7O/c26-20-7-10-22(35-17-18-5-8-21(27)9-6-18)19(15-20)16-28-32-23-29-24(33-11-1-2-12-33)31-25(30-23)34-13-3-4-14-34/h5-10,15-16H,1-4,11-14,17H2,(H,29,30,31,32) |
| InChIK | VKZGCOQCOJRJOD-UHFFFAOYSA-N |
| TotalMolweight | 495.988 |
| Molweight | 495.988 |
| MonoisotopicMass | 495.194963 |
| CLogP | 7.2994 |
| CLogS | -7.17 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 374.49 |
| Relative PSA | 0.19488 |
| PolarSurfaceArea | 78.77 |
| Druglikeness | 2.3458 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.51429 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 8 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 10 |
| Symmetricatoms | 11 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 3 |
| StereoCon |
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1 - N-[(Z)-[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine | 2 - N-[(Z)-[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine
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