1-benzyl-N-[(Z)-(4-bromophenyl)methylideneamino]pyrazolo[3,4-d]pyrimidin-4-amine
Formula:C19H15N6Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-benzyl-N-[(Z)-(4-bromophenyl)methylideneamino]pyrazolo[3,4-d]pyrimidin-4-amine is not a drug-like molecule.
| MolName | 1-benzyl-N-[(Z)-(4-bromophenyl)methylideneamino]pyrazolo[3,4-d]pyrimidin-4-amine |
| MolecularFormula | C19H15N6Br |
| Smiles | Brc1ccc(/C=N\Nc2ncnc3c2cnn3Cc2ccccc2)cc1 |
| InChI | InChI=1S/C19H15BrN6/c20-16-8-6-14(7-9-16)10-23-25-18-17-11-24-26(19(17)22-13-21-18)12-15-4-2-1-3-5-15/h1-11,13H,12H2,(H,21,22,25) |
| InChIK | KDYHZNKSGGEUMH-UHFFFAOYSA-N |
| TotalMolweight | 407.274 |
| Molweight | 407.274 |
| MonoisotopicMass | 406.054155 |
| CLogP | 5.3739 |
| CLogS | -5.407 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 281.47 |
| Relative PSA | 0.22294 |
| PolarSurfaceArea | 67.99 |
| Druglikeness | 2.5861 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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1 - 1-benzyl-N-[(Z)-(4-bromophenyl)methylideneamino]pyrazolo[3,4-d]pyrimidin-4-amine | 2 - 1-benzyl-N-[(Z)-(4-bromophenyl)methylideneamino]pyrazolo[3,4-d]pyrimidin-4-amine
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