General Information of the Compound
| Compound ID |
CP0435665
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| Compound Name |
US9458171, 11
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| Structure |
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| Formula |
C27H27F7N2O5S
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| Molecular Weight |
624.575
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| Canonical SMILES |
CC(=O)N1CCC(CC1)C(=O)N1CC[C@](C1)(c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1
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| InChI |
InChI=1S/C27H27F7N2O5S/c1-17(37)35-13-10-18(11-14-35)23(38)36-15-12-24(16-36,42(40,41)22-8-6-21(28)7-9-22)19-2-4-20(5-3-19)25(39,26(29,30)31)27(32,33)34/h2-9,18,39H,10-16H2,1H3/t24-/m0/s1
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| InChIKey |
KJQFBTHRWLTPCF-DEOSSOPVSA-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
Protein ID: PT01555, Oxysterols receptor LXR-alpha
Protein ID: PT01887, Oxysterols receptor LXR-beta