General Information of the Compound
| Compound ID |
CP0564300
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| Compound Name |
3-[6-[4-(cyclobutylmethyl)-5-[2,3-dichloro-4-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]phenyl]-1,3-thiazol-2-yl]pyrimidin-4-yl]-2,2-dimethylpropanoic acid
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| Structure |
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| Formula |
C26H27Cl2F3N4O4S2
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| Molecular Weight |
651.56
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| Canonical SMILES |
C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCC2)-c2cc(CC(C)(C)C(O)=O)ncn2)c(Cl)c1Cl)C(F)(F)F
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| InChI |
InChI=1S/C26H27Cl2F3N4O4S2/c1-13(26(29,30)31)35-41(38,39)19-8-7-16(20(27)21(19)28)22-17(9-14-5-4-6-14)34-23(40-22)18-10-15(32-12-33-18)11-25(2,3)24(36)37/h7-8,10,12-14,35H,4-6,9,11H2,1-3H3,(H,36,37)/t13-/m0/s1
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| InChIKey |
MNUCRODXGZMPCU-ZDUSSCGKSA-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