2-amino-1-[(Z)-benzylideneamino]-N-phenylpyrrolo[3,2-b]quinoxaline-3-carboxamide
Formula:C24H18N6O
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
2-amino-1-[(Z)-benzylideneamino]-N-phenylpyrrolo[3,2-b]quinoxaline-3-carboxamide is a drug-like molecule.
| MolName | 2-amino-1-[(Z)-benzylideneamino]-N-phenylpyrrolo[3,2-b]quinoxaline-3-carboxamide |
| MolecularFormula | C24H18N6O |
| Smiles | Nc1c(C(Nc2ccccc2)=O)c2nc3ccccc3nc2n1/N=C\c1ccccc1 |
| InChI | InChI=1S/C24H18N6O/c25-22-20(24(31)27-17-11-5-2-6-12-17)21-23(29-19-14-8-7-13-18(19)28-21)30(22)26-15-16-9-3-1-4-10-16/h1-15H,25H2,(H,27,31) |
| InChIK | NPSDXTICHXMVRW-UHFFFAOYSA-N |
| TotalMolweight | 406.448 |
| Molweight | 406.448 |
| MonoisotopicMass | 406.154209 |
| CLogP | 4.1624 |
| CLogS | -8.544 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 311.19 |
| Relative PSA | 0.25737 |
| PolarSurfaceArea | 98.19 |
| Druglikeness | 5.6447 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.48387 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 25 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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