General Information of the Compound
| Compound ID |
CP0855521
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| Compound Name |
5-{4-[({3-[3-benzoyl-8-(trifluoromethyl)quinolin-4-yl]phenyl}amino)methyl] benzylidene}-2-thioxo-1,3-thiazolidin-4-one
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| Structure |
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| Formula |
C34H22F3N3O2S2
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| Molecular Weight |
625.697
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| Canonical SMILES |
O=C1NC(=S)S/C1=C/c1ccc(CNc2cccc(-c3c(C(=O)c4ccccc4)cnc4c(C(F)(F)F)cccc34)c2)cc1
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| InChI |
InChI=1S/C34H22F3N3O2S2/c35-34(36,37)27-11-5-10-25-29(26(19-39-30(25)27)31(41)22-6-2-1-3-7-22)23-8-4-9-24(17-23)38-18-21-14-12-20(13-15-21)16-28-32(42)40-33(43)44-28/h1-17,19,38H,18H2,(H,40,42,43)/b28-16+
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| InChIKey |
WXKZUGIMAGOYQL-LQKURTRISA-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