General Information of the Compound
| Compound ID |
CP0539695
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| Compound Name |
4-[5-[benzyl(methyl)carbamoyl]-3-(2,6-dichlorophenyl)sulfanylindazol-1-yl]benzoic acid
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| Structure |
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| Formula |
C29H21Cl2N3O3S
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| Molecular Weight |
562.478
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| Canonical SMILES |
CN(Cc1ccccc1)C(=O)c1ccc2n(nc(Sc3c(Cl)cccc3Cl)c2c1)-c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C29H21Cl2N3O3S/c1-33(17-18-6-3-2-4-7-18)28(35)20-12-15-25-22(16-20)27(38-26-23(30)8-5-9-24(26)31)32-34(25)21-13-10-19(11-14-21)29(36)37/h2-16H,17H2,1H3,(H,36,37)
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| InChIKey |
LHXPTWZYPPKDCR-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