General Information of the Compound
| Compound ID |
CP0389691
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| Compound Name |
3-(3-benzyl-8-chlorocinnolin-4-yl)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]aniline
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| Structure |
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| Formula |
C29H20Cl2F3N3
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| Molecular Weight |
538.4
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| Canonical SMILES |
FC(F)(F)c1cccc(CNc2cccc(c2)-c2c(Cc3ccccc3)nnc3c(Cl)cccc23)c1Cl
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| InChI |
InChI=1S/C29H20Cl2F3N3/c30-24-14-6-12-22-26(25(36-37-28(22)24)15-18-7-2-1-3-8-18)19-9-4-11-21(16-19)35-17-20-10-5-13-23(27(20)31)29(32,33)34/h1-14,16,35H,15,17H2
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| InChIKey |
XHUGCOUNHPKMDJ-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