General Information of the Compound
| Compound ID |
CP0373348
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| Compound Name |
4-((3-cyclohexyl-5-(4-(trifluoromethoxy)phenyl)-1H-pyrazol-1-yl)methyl)benzoic acid
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| Structure |
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| Formula |
C24H23F3N2O3
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| Molecular Weight |
444.453
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| Canonical SMILES |
OC(=O)c1ccc(Cn2nc(cc2-c2ccc(OC(F)(F)F)cc2)C2CCCCC2)cc1
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| InChI |
InChI=1S/C24H23F3N2O3/c25-24(26,27)32-20-12-10-18(11-13-20)22-14-21(17-4-2-1-3-5-17)28-29(22)15-16-6-8-19(9-7-16)23(30)31/h6-14,17H,1-5,15H2,(H,30,31)
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| InChIKey |
YNBPQTVRDVQOFT-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: PT02242, Gastric inhibitory polypeptide receptor
Protein ID: PT01473, Glucagon receptor