General Information of the Compound
| Compound ID |
CP0412291
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| Compound Name |
(3R)-4-[[4-[5-chloro-2-(6-methoxypyridin-3-yl)phenyl]-1,3-thiazol-2-yl]-cyclopropylamino]-3-(furan-2-ylmethyl)-4-oxobutanoic acid
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| Structure |
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| Formula |
C27H24ClN3O5S
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| Molecular Weight |
538.025
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| Canonical SMILES |
COc1ccc(cn1)-c1ccc(Cl)cc1-c1csc(n1)N(C1CC1)C(=O)[C@@H](CC(O)=O)Cc1ccco1
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| InChI |
InChI=1S/C27H24ClN3O5S/c1-35-24-9-4-16(14-29-24)21-8-5-18(28)13-22(21)23-15-37-27(30-23)31(19-6-7-19)26(34)17(12-25(32)33)11-20-3-2-10-36-20/h2-5,8-10,13-15,17,19H,6-7,11-12H2,1H3,(H,32,33)/t17-/m1/s1
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| InChIKey |
AOZQVWPEWUHYNS-QGZVFWFLSA-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
Protein ID: PT04096, Free fatty acid receptor 2
Protein ID: PT06211, Free fatty acid receptor 2