General Information of the Compound
| Compound ID |
CP0387331
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| Compound Name |
(3R)-3-[cyclopropyl-[4-[2-(6-methoxypyridin-3-yl)phenyl]-1,3-thiazol-2-yl]carbamoyl]-5-methylhexanoic acid
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| Structure |
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| Formula |
C26H29N3O4S
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| Molecular Weight |
479.602
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| Canonical SMILES |
COc1ccc(cn1)-c1ccccc1-c1csc(n1)N(C1CC1)C(=O)[C@H](CC(C)C)CC(O)=O
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| InChI |
InChI=1S/C26H29N3O4S/c1-16(2)12-18(13-24(30)31)25(32)29(19-9-10-19)26-28-22(15-34-26)21-7-5-4-6-20(21)17-8-11-23(33-3)27-14-17/h4-8,11,14-16,18-19H,9-10,12-13H2,1-3H3,(H,30,31)/t18-/m1/s1
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| InChIKey |
YQPPLQQLIGRTBF-GOSISDBHSA-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