General Information of the Compound
| Compound ID |
CP0480087
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| Compound Name |
3-[5-(3,5-dichlorophenyl)-1-(4-methylphenyl)pyrazol-3-yl]propanoic acid
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| Formula |
C19H16Cl2N2O2
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| Molecular Weight |
375.255
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| Canonical SMILES |
Cc1ccc(cc1)-n1nc(CCC(O)=O)cc1-c1cc(Cl)cc(Cl)c1
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| InChI |
InChI=1S/C19H16Cl2N2O2/c1-12-2-5-17(6-3-12)23-18(11-16(22-23)4-7-19(24)25)13-8-14(20)10-15(21)9-13/h2-3,5-6,8-11H,4,7H2,1H3,(H,24,25)
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| InChIKey |
NFHUNGNFEGORNW-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