2-amino-N-benzyl-1-[(Z)-benzylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide
Formula:C25H20N6O
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
2-amino-N-benzyl-1-[(Z)-benzylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide is a drug-like molecule.
| MolName | 2-amino-N-benzyl-1-[(Z)-benzylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide |
| MolecularFormula | C25H20N6O |
| Smiles | Nc1c(C(NCc2ccccc2)=O)c2nc3ccccc3nc2n1/N=C\c1ccccc1 |
| InChI | InChI=1S/C25H20N6O/c26-23-21(25(32)27-15-17-9-3-1-4-10-17)22-24(30-20-14-8-7-13-19(20)29-22)31(23)28-16-18-11-5-2-6-12-18/h1-14,16H,15,26H2,(H,27,32) |
| InChIK | VSEDHUXFXXJKDJ-UHFFFAOYSA-N |
| TotalMolweight | 420.475 |
| Molweight | 420.475 |
| MonoisotopicMass | 420.169859 |
| CLogP | 3.8718 |
| CLogS | -8.36 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 324.95 |
| Relative PSA | 0.24647 |
| PolarSurfaceArea | 98.19 |
| Druglikeness | 5.9636 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 25 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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