General Information of the Compound
| Compound ID |
CP0464349
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| Compound Name |
2-(2,3-dimethoxyphenyl)-5-(4-fluorophenyl)-3-[(2,4,5-trifluoro-3-methoxyphenyl)carbonyl]-2,3-dihydro-1,3,4-thiadiazole
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| Structure |
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| Formula |
C24H18F4N2O4S
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| Molecular Weight |
506.477
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| Canonical SMILES |
COc1cccc(C2SC(=NN2C(=O)c2cc(F)c(F)c(OC)c2F)c2ccc(F)cc2)c1OC
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| InChI |
InChI=1S/C24H18F4N2O4S/c1-32-17-6-4-5-14(20(17)33-2)24-30(29-22(35-24)12-7-9-13(25)10-8-12)23(31)15-11-16(26)19(28)21(34-3)18(15)27/h4-11,24H,1-3H3
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| InChIKey |
HBEVEKLDXZVCSW-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