General Information of the Compound
| Compound ID |
CP0555069
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| Compound Name |
2-(3-fluoro-2-hydroxyphenyl)-5-[5-(hydroxymethyl)thiophen-2-yl]-6-methyl-3-(2-phenylethyl)pyrimidin-4-one
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| Formula |
C24H21FN2O3S
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| Molecular Weight |
436.508
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| Canonical SMILES |
Cc1nc(-c2cccc(F)c2O)n(CCc2ccccc2)c(=O)c1-c1ccc(CO)s1
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| InChI |
InChI=1S/C24H21FN2O3S/c1-15-21(20-11-10-17(14-28)31-20)24(30)27(13-12-16-6-3-2-4-7-16)23(26-15)18-8-5-9-19(25)22(18)29/h2-11,28-29H,12-14H2,1H3
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| InChIKey |
IKHPDBNPSSKDDD-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