General Information of the Compound
| Compound ID |
CP0436974
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| Compound Name |
(3E)-3-[(4-cyclohexyl-1,3-thiazol-2-yl)hydrazinylidene]inden-1-one
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| Structure |
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| Formula |
C18H19N3OS
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| Molecular Weight |
325.437
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| Canonical SMILES |
O=C1C\C(=N/Nc2nc(cs2)C2CCCCC2)c2ccccc12
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| InChI |
InChI=1S/C18H19N3OS/c22-17-10-15(13-8-4-5-9-14(13)17)20-21-18-19-16(11-23-18)12-6-2-1-3-7-12/h4-5,8-9,11-12H,1-3,6-7,10H2,(H,19,21)/b20-15+
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| InChIKey |
AQSSYBAEYQRCIX-HMMYKYKNSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound