General Information of the Compound
| Compound ID |
CP0505232
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| Compound Name |
4-[3-[(2,6-dichlorophenyl)methyl]indazol-1-yl]benzoic acid
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| Structure |
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| Formula |
C21H14Cl2N2O2
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| Molecular Weight |
397.261
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| Canonical SMILES |
OC(=O)c1ccc(cc1)-n1nc(Cc2c(Cl)cccc2Cl)c2ccccc12
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| InChI |
InChI=1S/C21H14Cl2N2O2/c22-17-5-3-6-18(23)16(17)12-19-15-4-1-2-7-20(15)25(24-19)14-10-8-13(9-11-14)21(26)27/h1-11H,12H2,(H,26,27)
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| InChIKey |
BECKJCJWYWWZGT-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: PT02663, Nuclear receptor ROR-gamma
Protein ID: PT01806, Retinoic acid receptor gamma