General Information of the Compound
| Compound ID |
CP0562786
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| Compound Name |
2-(3-fluoro-2-hydroxyphenyl)-6-methyl-5-(5-methylthiophen-2-yl)-3-(2-phenylethyl)pyrimidin-4-one
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| Structure |
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| Formula |
C24H21FN2O2S
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| Molecular Weight |
420.509
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| Canonical SMILES |
Cc1ccc(s1)-c1c(C)nc(-c2cccc(F)c2O)n(CCc2ccccc2)c1=O
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| InChI |
InChI=1S/C24H21FN2O2S/c1-15-11-12-20(30-15)21-16(2)26-23(18-9-6-10-19(25)22(18)28)27(24(21)29)14-13-17-7-4-3-5-8-17/h3-12,28H,13-14H2,1-2H3
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| InChIKey |
FOSZTBOMAKNEAC-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: PT01916, Extracellular calcium-sensing receptor
Protein ID: PT01552, Nuclear receptor subfamily 1 group I member 2