2-amino-N-benzyl-1-[(Z)-(3-chlorophenyl)methylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide
Formula:C25H19N6OCl
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
2-amino-N-benzyl-1-[(Z)-(3-chlorophenyl)methylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide is a drug-like molecule.
| MolName | 2-amino-N-benzyl-1-[(Z)-(3-chlorophenyl)methylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide |
| MolecularFormula | C25H19N6OCl |
| Smiles | Nc1c(C(NCc2ccccc2)=O)c2nc3ccccc3nc2n1/N=C\c1cccc(Cl)c1 |
| InChI | InChI=1S/C25H19ClN6O/c26-18-10-6-9-17(13-18)15-29-32-23(27)21(25(33)28-14-16-7-2-1-3-8-16)22-24(32)31-20-12-5-4-11-19(20)30-22/h1-13,15H,14,27H2,(H,28,33) |
| InChIK | DJAXLPKUOFOPII-UHFFFAOYSA-N |
| TotalMolweight | 454.92 |
| Molweight | 454.92 |
| MonoisotopicMass | 454.130886 |
| CLogP | 4.4778 |
| CLogS | -9.096 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 340.37 |
| Relative PSA | 0.2353 |
| PolarSurfaceArea | 98.19 |
| Druglikeness | 5.9907 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.48485 |
| Fragments | 1 |
| Non HAtoms | 33 |
| 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 | 3 |
| StereoCon |
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1 - 2-amino-N-benzyl-1-[(Z)-(3-chlorophenyl)methylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide | 2 - 2-amino-N-benzyl-1-[(Z)-(3-chlorophenyl)methylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide
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