General Information of the Compound
| Compound ID |
CP0437270
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| Compound Name |
2-[4-({[3-(3-benzoyl-8-methylquinolin-4-yl)phenyl]amino}methyl)phenyl]acetic acid
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| Structure |
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| Formula |
C32H26N2O3
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| Molecular Weight |
486.571
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| Canonical SMILES |
Cc1cccc2c(-c3cccc(NCc4ccc(CC(O)=O)cc4)c3)c(cnc12)C(=O)c1ccccc1
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| InChI |
InChI=1S/C32H26N2O3/c1-21-7-5-12-27-30(28(20-34-31(21)27)32(37)24-8-3-2-4-9-24)25-10-6-11-26(18-25)33-19-23-15-13-22(14-16-23)17-29(35)36/h2-16,18,20,33H,17,19H2,1H3,(H,35,36)
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| InChIKey |
AJSJAQQMFKYODQ-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