General Information of the Compound
| Compound ID |
CP0532761
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| Compound Name |
4-[5-(dimethylcarbamoyl)-3-(2,4,6-trimethylphenyl)sulfanylindazol-1-yl]benzoic acid
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| Structure |
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| Formula |
C26H25N3O3S
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| Molecular Weight |
459.571
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| Canonical SMILES |
CN(C)C(=O)c1ccc2n(nc(Sc3c(C)cc(C)cc3C)c2c1)-c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C26H25N3O3S/c1-15-12-16(2)23(17(3)13-15)33-24-21-14-19(25(30)28(4)5)8-11-22(21)29(27-24)20-9-6-18(7-10-20)26(31)32/h6-14H,1-5H3,(H,31,32)
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| InChIKey |
RJZUTZFBDRAVIZ-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