General Information of the Compound
| Compound ID |
CP0870775
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| Compound Name |
(E)-3-(3,5-Dimethyl-4-((2-((1-(4-methylbenzyl)piperidin-4-yl)-amino)thieno[3,2-d]pyrimidin-4-yl)oxy)phenyl)acrylonitrile
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| Structure |
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| Formula |
C30H31N5OS
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| Molecular Weight |
509.679
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| Canonical SMILES |
Cc1ccc(CN2CCC(Nc3nc(Oc4c(C)cc(/C=C/C#N)cc4C)c4sccc4n3)CC2)cc1
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| InChI |
InChI=1S/C30H31N5OS/c1-20-6-8-23(9-7-20)19-35-14-10-25(11-15-35)32-30-33-26-12-16-37-28(26)29(34-30)36-27-21(2)17-24(5-4-13-31)18-22(27)3/h4-9,12,16-18,25H,10-11,14-15,19H2,1-3H3,(H,32,33,34)/b5-4+
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| InChIKey |
UPOLOQZPGHKPJO-SNAWJCMRSA-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: PT00005, Reverse transcriptase/RNaseH
Cell-based Assay