General Information of the Compound
| Compound ID |
CP0424010
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| Compound Name |
5-(4-piperidin-4-ylphenyl)-3-[4-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxylic acid
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| Structure |
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| Formula |
C23H21F3N2O2
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| Molecular Weight |
414.427
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| Canonical SMILES |
OC(=O)c1[nH]c(cc1-c1ccc(cc1)C(F)(F)F)-c1ccc(cc1)C1CCNCC1
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| InChI |
InChI=1S/C23H21F3N2O2/c24-23(25,26)18-7-5-16(6-8-18)19-13-20(28-21(19)22(29)30)17-3-1-14(2-4-17)15-9-11-27-12-10-15/h1-8,13,15,27-28H,9-12H2,(H,29,30)
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| InChIKey |
KYCHFPRHUKYLEG-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