General Information of the Compound
| Compound ID |
CP0451175
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| Compound Name |
2-(3-fluoro-2-hydroxyphenyl)-6-methyl-5-(5-methyl-4-pyridin-2-ylthiophen-2-yl)-3-(2-phenylethyl)pyrimidin-4-one
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| Structure |
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| Formula |
C29H24FN3O2S
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| Molecular Weight |
497.595
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| Canonical SMILES |
Cc1sc(cc1-c1ccccn1)-c1c(C)nc(-c2cccc(F)c2O)n(CCc2ccccc2)c1=O
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| InChI |
InChI=1S/C29H24FN3O2S/c1-18-26(25-17-22(19(2)36-25)24-13-6-7-15-31-24)29(35)33(16-14-20-9-4-3-5-10-20)28(32-18)21-11-8-12-23(30)27(21)34/h3-13,15,17,34H,14,16H2,1-2H3
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| InChIKey |
LPCZOMPPQPNCTF-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