N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
Formula:C18H21N7OCl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine |
| MolecularFormula | C18H21N7OCl2 |
| Smiles | Clc1cc(Cl)c(/C=N\Nc2nc(N3CCOCC3)nc(N3CCCC3)n2)cc1 |
| InChI | InChI=1S/C18H21Cl2N7O/c19-14-4-3-13(15(20)11-14)12-21-25-16-22-17(26-5-1-2-6-26)24-18(23-16)27-7-9-28-10-8-27/h3-4,11-12H,1-2,5-10H2,(H,22,23,24,25) |
| InChIK | LGWKEDSPVDZLDS-UHFFFAOYSA-N |
| TotalMolweight | 422.319 |
| Molweight | 422.319 |
| MonoisotopicMass | 421.118462 |
| CLogP | 5.6345 |
| CLogS | -5.632 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 310.04 |
| Relative PSA | 0.23539 |
| PolarSurfaceArea | 78.77 |
| Druglikeness | 3.0691 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 3 |
| StereoCon |
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1 - N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine | 2 - N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
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