(4Z)-2-N,3-N-dibenzyl-1-cyclohexyl-5-oxo-4-(phenylhydrazinylidene)pyrrolidine-2,3-dicarboxamide
Formula:C32H35N5O3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(4Z)-2-N,3-N-dibenzyl-1-cyclohexyl-5-oxo-4-(phenylhydrazinylidene)pyrrolidine-2,3-dicarboxamide is not a drug-like molecule.
| MolName | (4Z)-2-N,3-N-dibenzyl-1-cyclohexyl-5-oxo-4-(phenylhydrazinylidene)pyrrolidine-2,3-dicarboxamide |
| MolecularFormula | C32H35N5O3 |
| Smiles | O=C(C(C(C(NCc1ccccc1)=O)N(C1CCCCC1)C1=O)/C1=N/Nc1ccccc1)NCc1ccccc1 |
| InChI | InChI=1S/C32H35N5O3/c38-30(33-21-23-13-5-1-6-14-23)27-28(36-35-25-17-9-3-10-18-25)32(40)37(26-19-11-4-12-20-26)29(27)31(39)34-22-24-15-7-2-8-16-24/h1-3,5-10,13-18,26-27,29,35H,4,11-12,19-22H2,(H,33,38)(H,34,39) |
| InChIK | PCCUUIKWDQOCCX-UHFFFAOYSA-N |
| TotalMolweight | 537.662 |
| Molweight | 537.662 |
| MonoisotopicMass | 537.27399 |
| CLogP | 4.9695 |
| CLogS | -5.028 |
| H Acceptors | 8 |
| H Donors | 3 |
| TotalSurfaceArea | 420.5 |
| Relative PSA | 0.21061 |
| PolarSurfaceArea | 102.9 |
| Druglikeness | 1.1357 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.4 |
| Fragments | 1 |
| Non HAtoms | 40 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 2 |
| Rotatable Bond | 9 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 10 |
| Symmetricatoms | 8 |
| Amides | 3 |
| StereoCon | unknown chirality |
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1 - (4Z)-2-N,3-N-dibenzyl-1-cyclohexyl-5-oxo-4-(phenylhydrazinylidene)pyrrolidine-2,3-dicarboxamide | 2 - (4Z)-2-N,3-N-dibenzyl-1-cyclohexyl-5-oxo-4-(phenylhydrazinylidene)pyrrolidine-2,3-dicarboxamide
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