General Information of the Compound
| Compound ID |
CP0451919
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| Compound Name |
4-[5-(dimethylcarbamoyl)-3-phenylsulfanylindazol-1-yl]benzoic acid
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| Structure |
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| Formula |
C23H19N3O3S
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| Molecular Weight |
417.49
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| Canonical SMILES |
CN(C)C(=O)c1ccc2n(nc(Sc3ccccc3)c2c1)-c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C23H19N3O3S/c1-25(2)22(27)16-10-13-20-19(14-16)21(30-18-6-4-3-5-7-18)24-26(20)17-11-8-15(9-12-17)23(28)29/h3-14H,1-2H3,(H,28,29)
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| InChIKey |
ZGDDULRRLLCPBU-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