General Information of the Compound
| Compound ID |
CP0502343
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| Compound Name |
2-(4-(4-chlorophenyl)-2-(4-phenylpiperidin-4-yl)thiazol-5-yl)acetic acid
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| Structure |
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| Formula |
C22H21ClN2O2S
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| Molecular Weight |
412.942
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| Canonical SMILES |
OC(=O)Cc1sc(nc1-c1ccc(Cl)cc1)C1(CCNCC1)c1ccccc1
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| InChI |
InChI=1S/C22H21ClN2O2S/c23-17-8-6-15(7-9-17)20-18(14-19(26)27)28-21(25-20)22(10-12-24-13-11-22)16-4-2-1-3-5-16/h1-9,24H,10-14H2,(H,26,27)
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| InChIKey |
SVOLDBJYHRIHMU-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