General Information of the Compound
| Compound ID |
CP0393336
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| Compound Name |
(3R)-4-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-methylamino]-3-(oxan-4-ylmethyl)-4-oxobutanoic acid
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| Structure |
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| Formula |
C20H23ClN2O4S
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| Molecular Weight |
422.934
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| Canonical SMILES |
CN(C(=O)[C@H](CC1CCOCC1)CC(O)=O)c1nc(cs1)-c1ccccc1Cl
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| InChI |
InChI=1S/C20H23ClN2O4S/c1-23(20-22-17(12-28-20)15-4-2-3-5-16(15)21)19(26)14(11-18(24)25)10-13-6-8-27-9-7-13/h2-5,12-14H,6-11H2,1H3,(H,24,25)/t14-/m1/s1
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| InChIKey |
MKTBFICPTYRWDG-CQSZACIVSA-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