2-amino-1-[(Z)-(4-chlorophenyl)methylideneamino]-N-phenylpyrrolo[3,2-b]quinoxaline-3-carboxamide
Formula:C24H17N6OCl
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
2-amino-1-[(Z)-(4-chlorophenyl)methylideneamino]-N-phenylpyrrolo[3,2-b]quinoxaline-3-carboxamide is a drug-like molecule.
| MolName | 2-amino-1-[(Z)-(4-chlorophenyl)methylideneamino]-N-phenylpyrrolo[3,2-b]quinoxaline-3-carboxamide |
| MolecularFormula | C24H17N6OCl |
| Smiles | Nc1c(C(Nc2ccccc2)=O)c2nc3ccccc3nc2n1/N=C\c(cc1)ccc1Cl |
| InChI | InChI=1S/C24H17ClN6O/c25-16-12-10-15(11-13-16)14-27-31-22(26)20(24(32)28-17-6-2-1-3-7-17)21-23(31)30-19-9-5-4-8-18(19)29-21/h1-14H,26H2,(H,28,32) |
| InChIK | KXWRZGSURRGCIK-UHFFFAOYSA-N |
| TotalMolweight | 440.893 |
| Molweight | 440.893 |
| MonoisotopicMass | 440.115236 |
| CLogP | 4.7684 |
| CLogS | -9.28 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 326.61 |
| Relative PSA | 0.24522 |
| PolarSurfaceArea | 98.19 |
| Druglikeness | 5.6677 |
| 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 | 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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1 - 2-amino-1-[(Z)-(4-chlorophenyl)methylideneamino]-N-phenylpyrrolo[3,2-b]quinoxaline-3-carboxamide | 2 - 2-amino-1-[(Z)-(4-chlorophenyl)methylideneamino]-N-phenylpyrrolo[3,2-b]quinoxaline-3-carboxamide
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