(5Z)-3-cyclohexyl-2-cyclohexylimino-5-[(4-pyrrolidin-1-ylphenyl)methylidene]-1,3-thiazolidin-4-one
Formula:C26H35N3OS
Mutagenic:high
Tumorigenic:low
Reproductive Effective:none
(5Z)-3-cyclohexyl-2-cyclohexylimino-5-[(4-pyrrolidin-1-ylphenyl)methylidene]-1,3-thiazolidin-4-one is not a drug-like molecule.
| MolName | (5Z)-3-cyclohexyl-2-cyclohexylimino-5-[(4-pyrrolidin-1-ylphenyl)methylidene]-1,3-thiazolidin-4-one |
| MolecularFormula | C26H35N3OS |
| Smiles | O=C(/C(/S1)=C/c(cc2)ccc2N2CCCC2)N(C2CCCCC2)/C1=N/C1CCCCC1 |
| InChI | InChI=1S/C26H35N3OS/c30-25-24(19-20-13-15-22(16-14-20)28-17-7-8-18-28)31-26(27-21-9-3-1-4-10-21)29(25)23-11-5-2-6-12-23/h13-16,19,21,23H,1-12,17-18H2 |
| InChIK | RUEZTFZDHSUNSJ-UHFFFAOYSA-N |
| TotalMolweight | 437.65 |
| Molweight | 437.65 |
| MonoisotopicMass | 437.250082 |
| CLogP | 5.4711 |
| CLogS | -6.713 |
| H Acceptors | 4 |
| TotalSurfaceArea | 340.42 |
| Relative PSA | 0.14435 |
| PolarSurfaceArea | 61.21 |
| Druglikeness | -0.81623 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51613 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 17 |
| Symmetricatoms | 8 |
| Amides | 1 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - (5Z)-3-cyclohexyl-2-cyclohexylimino-5-[(4-pyrrolidin-1-ylphenyl)methylidene]-1,3-thiazolidin-4-one | 2 - (5Z)-3-cyclohexyl-2-cyclohexylimino-5-[(4-pyrrolidin-1-ylphenyl)methylidene]-1,3-thiazolidin-4-one
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