General Information of the Compound
| Compound ID |
CP0452086
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| Compound Name |
3-[4-[[5-[(3,4-difluorophenyl)carbamoyl]-1,3,4-thiadiazol-2-yl]methoxy]phenyl]propanoic acid
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| Structure |
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| Formula |
C19H15F2N3O4S
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| Molecular Weight |
419.409
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| Canonical SMILES |
OC(=O)CCc1ccc(OCc2nnc(s2)C(=O)Nc2ccc(F)c(F)c2)cc1
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| InChI |
InChI=1S/C19H15F2N3O4S/c20-14-7-4-12(9-15(14)21)22-18(27)19-24-23-16(29-19)10-28-13-5-1-11(2-6-13)3-8-17(25)26/h1-2,4-7,9H,3,8,10H2,(H,22,27)(H,25,26)
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| InChIKey |
YCKOJEXQUBDOSS-UHFFFAOYSA-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: PT02793, Free fatty acid receptor 1
Protein ID: PT04096, Free fatty acid receptor 2
Protein ID: PT03133, Free fatty acid receptor 3
Protein ID: PT04427, Free fatty acid receptor 4