General Information of the Compound
| Compound ID |
CP0553176
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| Compound Name |
N-[3,5-dichloro-4-(4-methoxy-3-propan-2-ylphenoxy)phenyl]-2-(4-methylsulfonylpiperazin-1-yl)acetamide
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| Structure |
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| Formula |
C23H29Cl2N3O5S
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| Molecular Weight |
530.474
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| Canonical SMILES |
COc1ccc(Oc2c(Cl)cc(NC(=O)CN3CCN(CC3)S(C)(=O)=O)cc2Cl)cc1C(C)C
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| InChI |
InChI=1S/C23H29Cl2N3O5S/c1-15(2)18-13-17(5-6-21(18)32-3)33-23-19(24)11-16(12-20(23)25)26-22(29)14-27-7-9-28(10-8-27)34(4,30)31/h5-6,11-13,15H,7-10,14H2,1-4H3,(H,26,29)
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| InChIKey |
UCRLIXAPWLBGMA-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: PT05439, Nuclear receptor ROR-gamma