N-[(Z)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-amine
Formula:C26H30N7O2F
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-amine |
| MolecularFormula | C26H30N7O2F |
| Smiles | Fc1c(COc2c(/C=N\Nc3nc(N4CCOCC4)nc(N4CCCCC4)n3)cccc2)cccc1 |
| InChI | InChI=1S/C26H30FN7O2/c27-22-10-4-2-9-21(22)19-36-23-11-5-3-8-20(23)18-28-32-24-29-25(33-12-6-1-7-13-33)31-26(30-24)34-14-16-35-17-15-34/h2-5,8-11,18H,1,6-7,12-17,19H2,(H,29,30,31,32) |
| InChIK | DPJUXVXEFJXDPW-UHFFFAOYSA-N |
| TotalMolweight | 491.569 |
| Molweight | 491.569 |
| MonoisotopicMass | 491.244501 |
| CLogP | 6.2134 |
| CLogS | -6.085 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 382.83 |
| Relative PSA | 0.21675 |
| PolarSurfaceArea | 88 |
| Druglikeness | 0.25024 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 8 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 12 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 3 |
| StereoCon |
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1 - N-[(Z)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-amine | 2 - N-[(Z)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-amine
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