General Information of the Compound
| Compound ID |
CP0065854
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| Compound Name |
3-[5-[[3-(3-methylphenyl)phenyl]carbamoyl]-1,3,4-thiadiazol-2-yl]propanoic acid
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| Structure |
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| Formula |
C19H17N3O3S
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| Molecular Weight |
367.43
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| Canonical SMILES |
Cc1cccc(c1)-c1cccc(NC(=O)c2nnc(CCC(O)=O)s2)c1
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| InChI |
InChI=1S/C19H17N3O3S/c1-12-4-2-5-13(10-12)14-6-3-7-15(11-14)20-18(25)19-22-21-16(26-19)8-9-17(23)24/h2-7,10-11H,8-9H2,1H3,(H,20,25)(H,23,24)
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| InChIKey |
UAEIGMSYOHQESR-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