General Information of the Compound
| Compound ID |
CP0372056
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| Compound Name |
2-(4-(4-chlorophenyl)-2-(cyclohexyl(phenyl)methyl)thiazol-5-yl)acetic acid
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| Structure |
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| Formula |
C24H24ClNO2S
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| Molecular Weight |
425.981
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| Canonical SMILES |
OC(=O)Cc1sc(nc1-c1ccc(Cl)cc1)C(C1CCCCC1)c1ccccc1
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| InChI |
InChI=1S/C24H24ClNO2S/c25-19-13-11-18(12-14-19)23-20(15-21(27)28)29-24(26-23)22(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1,3-4,7-8,11-14,17,22H,2,5-6,9-10,15H2,(H,27,28)
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| InChIKey |
MXGOWUYGDYVRFT-UHFFFAOYSA-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