General Information of the Compound
| Compound ID |
CP0553179
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| Compound Name |
N-[3,5-dichloro-4-(4-methoxy-3-propan-2-ylphenoxy)phenyl]-2-(1-methylsulfonylpyrazol-4-yl)acetamide
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| Structure |
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| Formula |
C22H23Cl2N3O5S
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| Molecular Weight |
512.415
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| Canonical SMILES |
COc1ccc(Oc2c(Cl)cc(NC(=O)Cc3cnn(c3)S(C)(=O)=O)cc2Cl)cc1C(C)C
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| InChI |
InChI=1S/C22H23Cl2N3O5S/c1-13(2)17-10-16(5-6-20(17)31-3)32-22-18(23)8-15(9-19(22)24)26-21(28)7-14-11-25-27(12-14)33(4,29)30/h5-6,8-13H,7H2,1-4H3,(H,26,28)
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| InChIKey |
LJTAWAVSFHPTTE-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: PT01018, Thyroid hormone receptor beta