General Information of the Compound
| Compound ID |
CP0525916
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| Compound Name |
3-[3-benzoyl-8-(trifluoromethyl)quinolin-4-yl]-N-benzylaniline
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| Structure |
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| Formula |
C30H21F3N2O
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| Molecular Weight |
482.505
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| Canonical SMILES |
FC(F)(F)c1cccc2c(-c3cccc(NCc4ccccc4)c3)c(cnc12)C(=O)c1ccccc1
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| InChI |
InChI=1S/C30H21F3N2O/c31-30(32,33)26-16-8-15-24-27(25(19-35-28(24)26)29(36)21-11-5-2-6-12-21)22-13-7-14-23(17-22)34-18-20-9-3-1-4-10-20/h1-17,19,34H,18H2
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| InChIKey |
CUPCXDRVHZGUGE-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