General Information of the Compound
| Compound ID |
CP0493046
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| Compound Name |
3-[(2,6-difluoro-4-methoxyphenyl)carbonyl]-2-(2,3-dimethoxyphenyl)-5-(4-fluorophenyl)-2,3-dihydro-1,3,4-thiadiazole
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| Structure |
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| Formula |
C24H19F3N2O4S
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| Molecular Weight |
488.487
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| Canonical SMILES |
COc1cc(F)c(C(=O)N2N=C(SC2c2cccc(OC)c2OC)c2ccc(F)cc2)c(F)c1
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| InChI |
InChI=1S/C24H19F3N2O4S/c1-31-15-11-17(26)20(18(27)12-15)23(30)29-24(16-5-4-6-19(32-2)21(16)33-3)34-22(28-29)13-7-9-14(25)10-8-13/h4-12,24H,1-3H3
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| InChIKey |
SPEZOWKRIVQCNP-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