4-[(2-oxobenzo[cd]indol-1-yl)methyl]-N-[(Z)-pyridin-3-ylmethylideneamino]benzamide
Formula:C25H18N4O2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
4-[(2-oxobenzo[cd]indol-1-yl)methyl]-N-[(Z)-pyridin-3-ylmethylideneamino]benzamide is a drug-like molecule.
| MolName | 4-[(2-oxobenzo[cd]indol-1-yl)methyl]-N-[(Z)-pyridin-3-ylmethylideneamino]benzamide |
| MolecularFormula | C25H18N4O2 |
| Smiles | O=C(c1ccc(CN(c2c(c3ccc4)c4ccc2)C3=O)cc1)N/N=C\c1cnccc1 |
| InChI | InChI=1S/C25H18N4O2/c30-24(28-27-15-18-4-3-13-26-14-18)20-11-9-17(10-12-20)16-29-22-8-2-6-19-5-1-7-21(23(19)22)25(29)31/h1-15H,16H2,(H,28,30) |
| InChIK | POTQSAOPCJAXAA-UHFFFAOYSA-N |
| TotalMolweight | 406.444 |
| Molweight | 406.444 |
| MonoisotopicMass | 406.142976 |
| CLogP | 4.2919 |
| CLogS | -6.257 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 308.42 |
| Relative PSA | 0.20612 |
| PolarSurfaceArea | 74.66 |
| Druglikeness | 6.4061 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58065 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 4-[(2-oxobenzo[cd]indol-1-yl)methyl]-N-[(Z)-pyridin-3-ylmethylideneamino]benzamide | 2 - 4-[(2-oxobenzo[cd]indol-1-yl)methyl]-N-[(Z)-pyridin-3-ylmethylideneamino]benzamide
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