General Information of the Compound
| Compound ID |
CP0451778
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| Compound Name |
4-[3-(2,6-dichlorophenoxy)indazol-1-yl]-3,5-difluorobenzoic acid
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| Structure |
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| Formula |
C20H10Cl2F2N2O3
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| Molecular Weight |
435.213
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| Canonical SMILES |
OC(=O)c1cc(F)c(c(F)c1)-n1nc(Oc2c(Cl)cccc2Cl)c2ccccc12
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| InChI |
InChI=1S/C20H10Cl2F2N2O3/c21-12-5-3-6-13(22)18(12)29-19-11-4-1-2-7-16(11)26(25-19)17-14(23)8-10(20(27)28)9-15(17)24/h1-9H,(H,27,28)
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| InChIKey |
YMMIAABIBQPAQV-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