General Information of the Compound
| Compound ID |
CP0474752
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| Compound Name |
(3R)-3-benzyl-4-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-cyclopropylamino]-4-oxobutanoic acid
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| Structure |
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| Formula |
C23H21ClN2O3S
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| Molecular Weight |
440.952
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| Canonical SMILES |
OC(=O)C[C@@H](Cc1ccccc1)C(=O)N(C1CC1)c1nc(cs1)-c1ccccc1Cl
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| InChI |
InChI=1S/C23H21ClN2O3S/c24-19-9-5-4-8-18(19)20-14-30-23(25-20)26(17-10-11-17)22(29)16(13-21(27)28)12-15-6-2-1-3-7-15/h1-9,14,16-17H,10-13H2,(H,27,28)/t16-/m1/s1
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| InChIKey |
NULLUWBNCBXYLI-MRXNPFEDSA-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