General Information of the Compound
| Compound ID |
CP0431991
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| Compound Name |
2-[4-({[3-(3-benzyl-8-methylquinolin-4-yl)phenyl]amino}methyl)phenyl]acetic acid
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| Structure |
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| Formula |
C32H28N2O2
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| Molecular Weight |
472.588
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| Canonical SMILES |
Cc1cccc2c(c(Cc3ccccc3)cnc12)-c1cccc(NCc2ccc(CC(O)=O)cc2)c1
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| InChI |
InChI=1S/C32H28N2O2/c1-22-7-5-12-29-31(27(21-34-32(22)29)17-23-8-3-2-4-9-23)26-10-6-11-28(19-26)33-20-25-15-13-24(14-16-25)18-30(35)36/h2-16,19,21,33H,17-18,20H2,1H3,(H,35,36)
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| InChIKey |
FVKYONNSLLCHIF-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