General Information of the Compound
| Compound ID |
CP0534024
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| Compound Name |
2-(3-fluoro-2-hydroxyphenyl)-6-methyl-3-(2-phenylethyl)-5-(5-pyridin-2-ylthiophen-2-yl)pyrimidin-4-one
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| Structure |
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| Formula |
C28H22FN3O2S
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| Molecular Weight |
483.568
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| Canonical SMILES |
Cc1nc(-c2cccc(F)c2O)n(CCc2ccccc2)c(=O)c1-c1ccc(s1)-c1ccccn1
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| InChI |
InChI=1S/C28H22FN3O2S/c1-18-25(24-14-13-23(35-24)22-12-5-6-16-30-22)28(34)32(17-15-19-8-3-2-4-9-19)27(31-18)20-10-7-11-21(29)26(20)33/h2-14,16,33H,15,17H2,1H3
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| InChIKey |
ZXXPGEIURRRWLM-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