N-[(Z)-1,2-dihydroacenaphthylen-5-ylmethylideneamino]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
Formula:C24H18N6
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-1,2-dihydroacenaphthylen-5-ylmethylideneamino]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine is not a drug-like molecule.
| MolName | N-[(Z)-1,2-dihydroacenaphthylen-5-ylmethylideneamino]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine |
| MolecularFormula | C24H18N6 |
| Smiles | C(Cc1ccc2/C=N\Nc3ncnc4c3cnn4-c3ccccc3)c3c1c2ccc3 |
| InChI | InChI=1S/C24H18N6/c1-2-6-19(7-3-1)30-24-21(14-28-30)23(25-15-26-24)29-27-13-18-12-11-17-10-9-16-5-4-8-20(18)22(16)17/h1-8,11-15H,9-10H2,(H,25,26,29) |
| InChIK | VBBSPSAIJHXHGY-UHFFFAOYSA-N |
| TotalMolweight | 390.449 |
| Molweight | 390.449 |
| MonoisotopicMass | 390.159294 |
| CLogP | 6.0649 |
| CLogS | -6.909 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 297.7 |
| Relative PSA | 0.21078 |
| PolarSurfaceArea | 67.99 |
| Druglikeness | 2.4404 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 25 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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1 - N-[(Z)-1,2-dihydroacenaphthylen-5-ylmethylideneamino]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine | 2 - N-[(Z)-1,2-dihydroacenaphthylen-5-ylmethylideneamino]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
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