N-[(Z)-(4-chlorophenyl)methylideneamino]-4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
Formula:C18H22N7OCl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-(4-chlorophenyl)methylideneamino]-4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-(4-chlorophenyl)methylideneamino]-4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine |
| MolecularFormula | C18H22N7OCl |
| Smiles | Clc1ccc(/C=N\Nc2nc(N3CCOCC3)nc(N3CCCC3)n2)cc1 |
| InChI | InChI=1S/C18H22ClN7O/c19-15-5-3-14(4-6-15)13-20-24-16-21-17(25-7-1-2-8-25)23-18(22-16)26-9-11-27-12-10-26/h3-6,13H,1-2,7-12H2,(H,21,22,23,24) |
| InChIK | JSJNOPIDYBQWLJ-UHFFFAOYSA-N |
| TotalMolweight | 387.874 |
| Molweight | 387.874 |
| MonoisotopicMass | 387.157435 |
| CLogP | 5.0285 |
| CLogS | -4.896 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 294.62 |
| Relative PSA | 0.24771 |
| PolarSurfaceArea | 78.77 |
| Druglikeness | 3.0691 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 3 |
| StereoCon |
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1 - N-[(Z)-(4-chlorophenyl)methylideneamino]-4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine | 2 - N-[(Z)-(4-chlorophenyl)methylideneamino]-4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
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