4-cyano-2-fluoro-N-[(Z)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]benzamide
Formula:C28H19N4OF
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
4-cyano-2-fluoro-N-[(Z)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]benzamide is not a drug-like molecule.
| MolName | 4-cyano-2-fluoro-N-[(Z)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]benzamide |
| MolecularFormula | C28H19N4OF |
| Smiles | N#Cc(cc1)cc(F)c1C(N/N=C\c1cn(Cc2cccc3ccccc23)c2c1cccc2)=O |
| InChI | InChI=1S/C28H19FN4O/c29-26-14-19(15-30)12-13-25(26)28(34)32-31-16-22-18-33(27-11-4-3-10-24(22)27)17-21-8-5-7-20-6-1-2-9-23(20)21/h1-14,16,18H,17H2,(H,32,34) |
| InChIK | ALYJUFUCZKTLKR-UHFFFAOYSA-N |
| TotalMolweight | 446.484 |
| Molweight | 446.484 |
| MonoisotopicMass | 446.154289 |
| CLogP | 5.8621 |
| CLogS | -7.392 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 346.97 |
| Relative PSA | 0.16267 |
| PolarSurfaceArea | 70.18 |
| Druglikeness | 0.53166 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.55882 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 25 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 4-cyano-2-fluoro-N-[(Z)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]benzamide | 2 - 4-cyano-2-fluoro-N-[(Z)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]benzamide
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