General Information of the Compound
| Compound ID |
CP0061901
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| Compound Name |
N-[4-[5-[[benzyl(methyl)amino]methyl]-1-[(2,6-difluorophenyl)methyl]-2,4-dioxo-3-phenylthieno[2,3-d]pyrimidin-6-yl]phenyl]acetamide
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| Structure |
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| Formula |
C36H30F2N4O3S
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| Molecular Weight |
636.724
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| Canonical SMILES |
CN(Cc1c(sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c12)-c1ccc(NC(C)=O)cc1)Cc1ccccc1
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| InChI |
InChI=1S/C36H30F2N4O3S/c1-23(43)39-26-18-16-25(17-19-26)33-29(21-40(2)20-24-10-5-3-6-11-24)32-34(44)42(27-12-7-4-8-13-27)36(45)41(35(32)46-33)22-28-30(37)14-9-15-31(28)38/h3-19H,20-22H2,1-2H3,(H,39,43)
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| InChIKey |
WWFGVTCZQZISDD-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: PT01836, Gonadotropin-releasing hormone receptor
Cell-based Assay