General Information of the Compound
| Compound ID |
CP0410681
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| Compound Name |
5-[2,3-dichloro-4-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]phenyl]-4-[(4-fluorophenyl)methyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide
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| Structure |
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| Formula |
C24H23Cl2F4N3O4S2
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| Molecular Weight |
628.497
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| Canonical SMILES |
C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2Cc2ccc(F)cc2)C(=O)NCC(C)(C)O)c(Cl)c1Cl)C(F)(F)F
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| InChI |
InChI=1S/C24H23Cl2F4N3O4S2/c1-12(24(28,29)30)33-39(36,37)17-9-8-15(18(25)19(17)26)20-16(10-13-4-6-14(27)7-5-13)32-22(38-20)21(34)31-11-23(2,3)35/h4-9,12,33,35H,10-11H2,1-3H3,(H,31,34)/t12-/m0/s1
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| InChIKey |
KXWLXPUSRXLJCK-LBPRGKRZSA-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: PT03033, Nuclear receptor ROR-beta
Protein ID: PT02663, Nuclear receptor ROR-gamma