General Information of the Compound
| Compound ID |
CP0397539
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| Compound Name |
2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-methyl-11-methylidenebenzo[c][1]benzazepin-6-one
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| Structure |
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| Formula |
C19H13F6NO2
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| Molecular Weight |
401.306
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| Canonical SMILES |
CN1c2ccc(cc2C(=C)c2ccccc2C1=O)C(O)(C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C19H13F6NO2/c1-10-12-5-3-4-6-13(12)16(27)26(2)15-8-7-11(9-14(10)15)17(28,18(20,21)22)19(23,24)25/h3-9,28H,1H2,2H3
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| InChIKey |
KHGLCRLWTRDGEJ-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: PT01555, Oxysterols receptor LXR-alpha
Protein ID: PT01887, Oxysterols receptor LXR-beta