General Information of the Compound
| Compound ID |
CP0117647
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| Compound Name |
(3R)-3-(cyclopentylmethyl)-4-[cyclopropyl-[4-[2-(6-methoxypyridin-3-yl)phenyl]-1,3-thiazol-2-yl]amino]-4-oxobutanoic acid
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| Structure |
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| Formula |
C28H31N3O4S
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| Molecular Weight |
505.64
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| Canonical SMILES |
COc1ccc(cn1)-c1ccccc1-c1csc(n1)N(C1CC1)C(=O)[C@H](CC1CCCC1)CC(O)=O
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| InChI |
InChI=1S/C28H31N3O4S/c1-35-25-13-10-19(16-29-25)22-8-4-5-9-23(22)24-17-36-28(30-24)31(21-11-12-21)27(34)20(15-26(32)33)14-18-6-2-3-7-18/h4-5,8-10,13,16-18,20-21H,2-3,6-7,11-12,14-15H2,1H3,(H,32,33)/t20-/m1/s1
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| InChIKey |
BOHUPTPKVLIDQI-HXUWFJFHSA-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