General Information of the Compound
| Compound ID |
CP0173294
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| Compound Name |
2-(4-chloro-6-((4-methyl-2-(4-(trifluoromethyl)phenyl)thiazol-5-yl)methoxy)benzo[b]thiophen-3-yl)acetic acid
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| Structure |
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| Formula |
C22H15ClF3NO3S2
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| Molecular Weight |
497.947
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| Canonical SMILES |
Cc1nc(sc1COc1cc(Cl)c2c(CC(O)=O)csc2c1)-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C22H15ClF3NO3S2/c1-11-18(32-21(27-11)12-2-4-14(5-3-12)22(24,25)26)9-30-15-7-16(23)20-13(6-19(28)29)10-31-17(20)8-15/h2-5,7-8,10H,6,9H2,1H3,(H,28,29)
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| InChIKey |
KQXRKZBFMUIPSS-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