General Information of the Compound
| Compound ID |
CP0427201
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| Compound Name |
(3R)-3-benzyl-4-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-methylamino]-4-oxobutanoic acid
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| Structure |
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| Formula |
C21H19ClN2O3S
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| Molecular Weight |
414.914
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| Canonical SMILES |
CN(C(=O)[C@@H](CC(O)=O)Cc1ccccc1)c1nc(cs1)-c1ccccc1Cl
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| InChI |
InChI=1S/C21H19ClN2O3S/c1-24(21-23-18(13-28-21)16-9-5-6-10-17(16)22)20(27)15(12-19(25)26)11-14-7-3-2-4-8-14/h2-10,13,15H,11-12H2,1H3,(H,25,26)/t15-/m1/s1
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| InChIKey |
OBDALOKUUNSYAK-OAHLLOKOSA-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