2-amino-N-cyclohexyl-1-[(Z)-pyridin-4-ylmethylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide
Formula:C23H23N7O
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
2-amino-N-cyclohexyl-1-[(Z)-pyridin-4-ylmethylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide is a drug-like molecule.
| MolName | 2-amino-N-cyclohexyl-1-[(Z)-pyridin-4-ylmethylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide |
| MolecularFormula | C23H23N7O |
| Smiles | Nc1c(C(NC2CCCCC2)=O)c2nc3ccccc3nc2n1/N=C\c1ccncc1 |
| InChI | InChI=1S/C23H23N7O/c24-21-19(23(31)27-16-6-2-1-3-7-16)20-22(29-18-9-5-4-8-17(18)28-20)30(21)26-14-15-10-12-25-13-11-15/h4-5,8-14,16H,1-3,6-7,24H2,(H,27,31) |
| InChIK | MQHPUAGRUMDTFM-UHFFFAOYSA-N |
| TotalMolweight | 413.484 |
| Molweight | 413.484 |
| MonoisotopicMass | 413.196408 |
| CLogP | 3.0085 |
| CLogS | -7.816 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 317.99 |
| Relative PSA | 0.28636 |
| PolarSurfaceArea | 111.08 |
| Druglikeness | 1.2197 |
| 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 | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 19 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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1 - 2-amino-N-cyclohexyl-1-[(Z)-pyridin-4-ylmethylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide | 2 - 2-amino-N-cyclohexyl-1-[(Z)-pyridin-4-ylmethylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide
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