General Information of the Compound
| Compound ID |
CP0453600
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| Compound Name |
2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-methyl-11,12-dihydrobenzo[c][1]benzazocin-6-one
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| Structure |
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| Formula |
C19H15F6NO2
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| Molecular Weight |
403.322
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| Canonical SMILES |
CN1c2ccc(cc2CCc2ccccc2C1=O)C(O)(C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C19H15F6NO2/c1-26-15-9-8-13(17(28,18(20,21)22)19(23,24)25)10-12(15)7-6-11-4-2-3-5-14(11)16(26)27/h2-5,8-10,28H,6-7H2,1H3
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| InChIKey |
PCNFJMCIOJDDMB-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