General Information of the Compound
| Compound ID |
CP0423373
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| Compound Name |
3-[5-(3,5-dichlorophenyl)-1-(1-methylpyrazol-3-yl)pyrazol-3-yl]propanoic acid
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| Formula |
C16H14Cl2N4O2
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| Molecular Weight |
365.22
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| Canonical SMILES |
Cn1ccc(n1)-n1nc(CCC(O)=O)cc1-c1cc(Cl)cc(Cl)c1
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| InChI |
InChI=1S/C16H14Cl2N4O2/c1-21-5-4-15(20-21)22-14(9-13(19-22)2-3-16(23)24)10-6-11(17)8-12(18)7-10/h4-9H,2-3H2,1H3,(H,23,24)
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| InChIKey |
LAWBOFSGWMPKIF-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