2-amino-N-benzyl-1-[(Z)-pyridin-2-ylmethylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide
Formula:C24H19N7O
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
2-amino-N-benzyl-1-[(Z)-pyridin-2-ylmethylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide is a drug-like molecule.
| MolName | 2-amino-N-benzyl-1-[(Z)-pyridin-2-ylmethylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide |
| MolecularFormula | C24H19N7O |
| Smiles | Nc1c(C(NCc2ccccc2)=O)c2nc3ccccc3nc2n1/N=C\c1ncccc1 |
| InChI | InChI=1S/C24H19N7O/c25-22-20(24(32)27-14-16-8-2-1-3-9-16)21-23(30-19-12-5-4-11-18(19)29-21)31(22)28-15-17-10-6-7-13-26-17/h1-13,15H,14,25H2,(H,27,32) |
| InChIK | ILMOUSXMJXVJFN-UHFFFAOYSA-N |
| TotalMolweight | 421.463 |
| Molweight | 421.463 |
| MonoisotopicMass | 421.165108 |
| CLogP | 2.9249 |
| CLogS | -7.589 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 323.71 |
| Relative PSA | 0.2813 |
| PolarSurfaceArea | 111.08 |
| 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 | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 25 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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1 - 2-amino-N-benzyl-1-[(Z)-pyridin-2-ylmethylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide | 2 - 2-amino-N-benzyl-1-[(Z)-pyridin-2-ylmethylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide
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