General Information of the Compound
| Compound ID |
CP0465788
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| Compound Name |
4-[1-(4-chlorophenyl)-5-(3,5-dichlorophenyl)pyrazol-3-yl]butanoic acid
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| Formula |
C19H15Cl3N2O2
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| Molecular Weight |
409.7
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| Canonical SMILES |
OC(=O)CCCc1cc(-c2cc(Cl)cc(Cl)c2)n(n1)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C19H15Cl3N2O2/c20-13-4-6-17(7-5-13)24-18(12-8-14(21)10-15(22)9-12)11-16(23-24)2-1-3-19(25)26/h4-11H,1-3H2,(H,25,26)
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| InChIKey |
LIXFMKDDQVDRQF-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