General Information of the Compound
| Compound ID |
CP0397538
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| Compound Name |
2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-methylbenzo[b][1,4]benzoxazepin-6-one
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| Structure |
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| Formula |
C17H11F6NO3
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| Molecular Weight |
391.267
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| Canonical SMILES |
CN1c2ccc(cc2Oc2ccccc2C1=O)C(O)(C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C17H11F6NO3/c1-24-11-7-6-9(15(26,16(18,19)20)17(21,22)23)8-13(11)27-12-5-3-2-4-10(12)14(24)25/h2-8,26H,1H3
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| InChIKey |
ZBGOKZJTMPLHNL-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