General Information of the Compound
| Compound ID |
CP0444468
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| Compound Name |
3-[5-[3,5-bis(trifluoromethyl)phenyl]-1-(4-chlorophenyl)pyrazol-3-yl]propanoic acid
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| Formula |
C20H13ClF6N2O2
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| Molecular Weight |
462.777
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| Canonical SMILES |
OC(=O)CCc1cc(-c2cc(cc(c2)C(F)(F)F)C(F)(F)F)n(n1)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C20H13ClF6N2O2/c21-14-1-4-16(5-2-14)29-17(10-15(28-29)3-6-18(30)31)11-7-12(19(22,23)24)9-13(8-11)20(25,26)27/h1-2,4-5,7-10H,3,6H2,(H,30,31)
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| InChIKey |
BAANFZMNIGINLC-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: PT01930, Retinoic acid receptor RXR-alpha
Protein ID: PT01474, Retinoic acid receptor RXR-beta
Protein ID: PT02769, Retinoic acid receptor RXR-gamma