General Information of the Compound
| Compound ID |
CP0400998
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| Compound Name |
3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl]-N-[(1-methylindol-7-yl)methyl]aniline
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| Structure |
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| Formula |
C33H26F3N3
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| Molecular Weight |
521.586
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| Canonical SMILES |
Cn1ccc2cccc(CNc3cccc(c3)-c3c(Cc4ccccc4)cnc4c(cccc34)C(F)(F)F)c12
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| InChI |
InChI=1S/C33H26F3N3/c1-39-17-16-23-10-5-12-25(32(23)39)20-37-27-13-6-11-24(19-27)30-26(18-22-8-3-2-4-9-22)21-38-31-28(30)14-7-15-29(31)33(34,35)36/h2-17,19,21,37H,18,20H2,1H3
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| InChIKey |
IDEFAXMSWQNUAX-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