1-phenyl-5-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]pyrazolo[3,4-d]pyrimidin-4-one
Formula:C25H19N5O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-phenyl-5-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]pyrazolo[3,4-d]pyrimidin-4-one is a drug-like molecule.
| MolName | 1-phenyl-5-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]pyrazolo[3,4-d]pyrimidin-4-one |
| MolecularFormula | C25H19N5O2 |
| Smiles | O=C(c(cnn1-c2ccccc2)c1N=C1)N1/N=C\c(cc1)ccc1OCc1ccccc1 |
| InChI | InChI=1S/C25H19N5O2/c31-25-23-16-28-30(21-9-5-2-6-10-21)24(23)26-18-29(25)27-15-19-11-13-22(14-12-19)32-17-20-7-3-1-4-8-20/h1-16,18H,17H2 |
| InChIK | FJPIQXLBPNBTBX-UHFFFAOYSA-N |
| TotalMolweight | 421.459 |
| Molweight | 421.459 |
| MonoisotopicMass | 421.153875 |
| CLogP | 3.3403 |
| CLogS | -5.4 |
| H Acceptors | 7 |
| TotalSurfaceArea | 328.33 |
| Relative PSA | 0.20543 |
| PolarSurfaceArea | 72.08 |
| Druglikeness | 5.0296 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.65625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 1-phenyl-5-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]pyrazolo[3,4-d]pyrimidin-4-one | 2 - 1-phenyl-5-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]pyrazolo[3,4-d]pyrimidin-4-one
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