General Information of the Compound
| Compound ID |
CP0468595
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| Compound Name |
US9458171, 50
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| Structure |
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| Formula |
C25H24F7NO4S
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| Molecular Weight |
567.523
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| Canonical SMILES |
OC(c1ccc(cc1)C1(CCN(C1)C(=O)C1CCCC1)S(=O)(=O)c1ccc(F)cc1)(C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C25H24F7NO4S/c26-19-9-11-20(12-10-19)38(36,37)22(13-14-33(15-22)21(34)16-3-1-2-4-16)17-5-7-18(8-6-17)23(35,24(27,28)29)25(30,31)32/h5-12,16,35H,1-4,13-15H2
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| InChIKey |
AWOZLZVEQAYRHZ-UHFFFAOYSA-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