2-amino-1-[(Z)-benzylideneamino]-N-cyclopentylpyrrolo[3,2-b]quinoxaline-3-carboxamide
Formula:C23H22N6O
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
2-amino-1-[(Z)-benzylideneamino]-N-cyclopentylpyrrolo[3,2-b]quinoxaline-3-carboxamide is a drug-like molecule.
| MolName | 2-amino-1-[(Z)-benzylideneamino]-N-cyclopentylpyrrolo[3,2-b]quinoxaline-3-carboxamide |
| MolecularFormula | C23H22N6O |
| Smiles | Nc1c(C(NC2CCCC2)=O)c2nc3ccccc3nc2n1/N=C\c1ccccc1 |
| InChI | InChI=1S/C23H22N6O/c24-21-19(23(30)26-16-10-4-5-11-16)20-22(28-18-13-7-6-12-17(18)27-20)29(21)25-14-15-8-2-1-3-9-15/h1-3,6-9,12-14,16H,4-5,10-11,24H2,(H,26,30) |
| InChIK | QESLGKGFUMUGHD-UHFFFAOYSA-N |
| TotalMolweight | 398.469 |
| Molweight | 398.469 |
| MonoisotopicMass | 398.185509 |
| CLogP | 3.6674 |
| CLogS | -8.341 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 305.47 |
| Relative PSA | 0.26219 |
| PolarSurfaceArea | 98.19 |
| Druglikeness | 3.5961 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.46667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 19 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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1 - 2-amino-1-[(Z)-benzylideneamino]-N-cyclopentylpyrrolo[3,2-b]quinoxaline-3-carboxamide | 2 - 2-amino-1-[(Z)-benzylideneamino]-N-cyclopentylpyrrolo[3,2-b]quinoxaline-3-carboxamide
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