5-[(Z)-(2,4-dichlorophenyl)methylideneamino]-1-phenylpyrazolo[3,4-d]pyrimidin-4-imine
Formula:C18H12N6Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-[(Z)-(2,4-dichlorophenyl)methylideneamino]-1-phenylpyrazolo[3,4-d]pyrimidin-4-imine is a drug-like molecule.
| MolName | 5-[(Z)-(2,4-dichlorophenyl)methylideneamino]-1-phenylpyrazolo[3,4-d]pyrimidin-4-imine |
| MolecularFormula | C18H12N6Cl2 |
| Smiles | N=C(c(cnn1-c2ccccc2)c1N=C1)N1/N=C\c(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C18H12Cl2N6/c19-13-7-6-12(16(20)8-13)9-23-25-11-22-18-15(17(25)21)10-24-26(18)14-4-2-1-3-5-14/h1-11,21H |
| InChIK | ULKDIFCQLRBPPL-UHFFFAOYSA-N |
| TotalMolweight | 383.241 |
| Molweight | 383.241 |
| MonoisotopicMass | 382.050048 |
| CLogP | 2.8052 |
| CLogS | -4.711 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 278.21 |
| Relative PSA | 0.2157 |
| PolarSurfaceArea | 69.63 |
| Druglikeness | 4.657 |
| 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 | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 5-[(Z)-(2,4-dichlorophenyl)methylideneamino]-1-phenylpyrazolo[3,4-d]pyrimidin-4-imine | 2 - 5-[(Z)-(2,4-dichlorophenyl)methylideneamino]-1-phenylpyrazolo[3,4-d]pyrimidin-4-imine
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