N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
Formula:C18H12N6Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine is not a drug-like molecule.
| MolName | N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine |
| MolecularFormula | C18H12N6Cl2 |
| Smiles | Clc1cc(Cl)c(/C=N\Nc2ncnc3c2cnn3-c2ccccc2)cc1 |
| InChI | InChI=1S/C18H12Cl2N6/c19-13-7-6-12(16(20)8-13)9-23-25-17-15-10-24-26(18(15)22-11-21-17)14-4-2-1-3-5-14/h1-11H,(H,21,22,25) |
| InChIK | KJTNUUBAZSCXBC-UHFFFAOYSA-N |
| TotalMolweight | 383.241 |
| Molweight | 383.241 |
| MonoisotopicMass | 382.050048 |
| CLogP | 5.6097 |
| CLogS | -6.223 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 279.92 |
| Relative PSA | 0.22417 |
| PolarSurfaceArea | 67.99 |
| Druglikeness | 3.6775 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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1 - N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine | 2 - N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
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