General Information of the Compound
| Compound ID |
CP0054882
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| Compound Name |
3-[5-[[3-(4-fluorophenyl)phenyl]carbamoyl]-1,3,4-thiadiazol-2-yl]propanoic acid
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| Structure |
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| Formula |
C18H14FN3O3S
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| Molecular Weight |
371.393
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| Canonical SMILES |
OC(=O)CCc1nnc(s1)C(=O)Nc1cccc(c1)-c1ccc(F)cc1
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| InChI |
InChI=1S/C18H14FN3O3S/c19-13-6-4-11(5-7-13)12-2-1-3-14(10-12)20-17(25)18-22-21-15(26-18)8-9-16(23)24/h1-7,10H,8-9H2,(H,20,25)(H,23,24)
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| InChIKey |
LBXXTDSJYRFPFG-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