General Information of the Compound
| Compound ID |
CP0061898
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| Compound Name |
1-(2,6-difluorobenzyl)-5-((benzyl(methyl)amino)methyl)-6-(4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl)-3-phenylthieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
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| Structure |
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| Formula |
C37H32F2N6O2S
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| Molecular Weight |
662.766
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| Canonical SMILES |
CN(Cc1c(sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c12)-c1ccc(NC2=NCCN2)cc1)Cc1ccccc1
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| InChI |
InChI=1S/C37H32F2N6O2S/c1-43(21-24-9-4-2-5-10-24)22-29-32-34(46)45(27-11-6-3-7-12-27)37(47)44(23-28-30(38)13-8-14-31(28)39)35(32)48-33(29)25-15-17-26(18-16-25)42-36-40-19-20-41-36/h2-18H,19-23H2,1H3,(H2,40,41,42)
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| InChIKey |
VLDSOJXTMRDIAY-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