General Information of the Compound
| Compound ID |
CP0455017
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| Compound Name |
4-[3-(2,6-dichloroanilino)-5-(dimethylcarbamoyl)indazol-1-yl]benzoic acid
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| Structure |
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| Formula |
C23H18Cl2N4O3
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| Molecular Weight |
469.328
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| Canonical SMILES |
CN(C)C(=O)c1ccc2n(nc(Nc3c(Cl)cccc3Cl)c2c1)-c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C23H18Cl2N4O3/c1-28(2)22(30)14-8-11-19-16(12-14)21(26-20-17(24)4-3-5-18(20)25)27-29(19)15-9-6-13(7-10-15)23(31)32/h3-12H,1-2H3,(H,26,27)(H,31,32)
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| InChIKey |
FLXLDVUSNIHVSB-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