General Information of the Compound
| Compound ID |
CP0564088
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| Compound Name |
US9458171, 301
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| Formula |
C34H38F7NO6S
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| Molecular Weight |
721.732
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| Canonical SMILES |
OC(=O)[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@](C1)(c1ccc(cc1)C(OCC1CCCCC1)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1
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| InChI |
InChI=1S/C34H38F7NO6S/c35-27-14-16-28(17-15-27)49(46,47)31(18-19-42(21-31)29(43)23-6-8-24(9-7-23)30(44)45)25-10-12-26(13-11-25)32(33(36,37)38,34(39,40)41)48-20-22-4-2-1-3-5-22/h10-17,22-24H,1-9,18-21H2,(H,44,45)/t23-,24-,31-/m0/s1
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| InChIKey |
LNEQCJSAUMDARD-MKGJDZFWSA-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