General Information of the Compound
| Compound ID |
CP0075231
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| Compound Name |
3-(3-(biphenyl-4-yl)-1-(4-(trifluoromethoxy)phenylcarbamoyl)piperidin-3-yl)propanoic acid
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| Structure |
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| Formula |
C28H27F3N2O4
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| Molecular Weight |
512.528
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| Canonical SMILES |
OC(=O)CCC1(CCCN(C1)C(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccc(cc1)-c1ccccc1
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| InChI |
InChI=1S/C28H27F3N2O4/c29-28(30,31)37-24-13-11-23(12-14-24)32-26(36)33-18-4-16-27(19-33,17-15-25(34)35)22-9-7-21(8-10-22)20-5-2-1-3-6-20/h1-3,5-14H,4,15-19H2,(H,32,36)(H,34,35)
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| InChIKey |
WFKBKGKEWUKRGP-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