General Information of the Compound
| Compound ID |
CP0537033
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| Compound Name |
US9458171, 160
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| Formula |
C34H30F9NO6S
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| Molecular Weight |
751.664
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| Canonical SMILES |
OC(=O)[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@](C1)(c1ccc(cc1)C(OCc1c(F)cccc1F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1
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| InChI |
InChI=1S/C34H30F9NO6S/c35-24-12-14-25(15-13-24)51(48,49)31(16-17-44(19-31)29(45)20-4-6-21(7-5-20)30(46)47)22-8-10-23(11-9-22)32(33(38,39)40,34(41,42)43)50-18-26-27(36)2-1-3-28(26)37/h1-3,8-15,20-21H,4-7,16-19H2,(H,46,47)/t20-,21-,31-/m0/s1
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| InChIKey |
BFZCOFNHRDYFJK-IHPVIADISA-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