General Information of the Compound
| Compound ID |
CP0558676
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| Compound Name |
US9458171, 280
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| Structure |
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| Formula |
C31H27F9N2O5S
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| Molecular Weight |
710.615
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| Canonical SMILES |
Fc1ccc(cc1)S(=O)(=O)[C@]1(CCN(C1)C(=O)N1CCOCC1)c1ccc(cc1)C(OCc1c(F)cccc1F)(C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C31H27F9N2O5S/c32-22-8-10-23(11-9-22)48(44,45)28(12-13-42(19-28)27(43)41-14-16-46-17-15-41)20-4-6-21(7-5-20)29(30(35,36)37,31(38,39)40)47-18-24-25(33)2-1-3-26(24)34/h1-11H,12-19H2/t28-/m0/s1
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| InChIKey |
AVTXZSGXHMLEBX-NDEPHWFRSA-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: PT01552, Nuclear receptor subfamily 1 group I member 2