General Information of the Compound
| Compound ID |
CP0434062
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| Compound Name |
2-[4-({[3-(3-benzoyl-8-fluoroquinolin-4-yl)phenyl]amino}methyl)phenyl]acetic acid
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| Structure |
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| Formula |
C31H23FN2O3
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| Molecular Weight |
490.534
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| Canonical SMILES |
OC(=O)Cc1ccc(CNc2cccc(c2)-c2c(cnc3c(F)cccc23)C(=O)c2ccccc2)cc1
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| InChI |
InChI=1S/C31H23FN2O3/c32-27-11-5-10-25-29(26(19-34-30(25)27)31(37)22-6-2-1-3-7-22)23-8-4-9-24(17-23)33-18-21-14-12-20(13-15-21)16-28(35)36/h1-15,17,19,33H,16,18H2,(H,35,36)
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| InChIKey |
XUAMCPQLEJKSQK-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