General Information of the Compound
| Compound ID |
CP0451923
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| Compound Name |
4-[3-(2,6-dichlorophenyl)sulfanyl-5-(3,3-difluoroazetidine-1-carbonyl)indazol-1-yl]benzoic acid
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| Structure |
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| Formula |
C24H15Cl2F2N3O3S
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| Molecular Weight |
534.371
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| Canonical SMILES |
OC(=O)c1ccc(cc1)-n1nc(Sc2c(Cl)cccc2Cl)c2cc(ccc12)C(=O)N1CC(F)(F)C1
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| InChI |
InChI=1S/C24H15Cl2F2N3O3S/c25-17-2-1-3-18(26)20(17)35-21-16-10-14(22(32)30-11-24(27,28)12-30)6-9-19(16)31(29-21)15-7-4-13(5-8-15)23(33)34/h1-10H,11-12H2,(H,33,34)
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| InChIKey |
SZDSCDDWOVEVAF-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