General Information of the Compound
| Compound ID |
CP0870773
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| Compound Name |
(E)-3-(4-((2-((1-(3-Bromobenzyl)piperidin-4-yl)amino)thieno[3,2-d]pyrimidin-4-yl)oxy)-3,5-dimethylphenyl)acrylonitrile
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| Structure |
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| Formula |
C29H28BrN5OS
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| Molecular Weight |
574.548
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| Canonical SMILES |
Cc1cc(/C=C/C#N)cc(C)c1Oc1nc(NC2CCN(Cc3cccc(Br)c3)CC2)nc2ccsc12
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| InChI |
InChI=1S/C29H28BrN5OS/c1-19-15-21(6-4-11-31)16-20(2)26(19)36-28-27-25(10-14-37-27)33-29(34-28)32-24-8-12-35(13-9-24)18-22-5-3-7-23(30)17-22/h3-7,10,14-17,24H,8-9,12-13,18H2,1-2H3,(H,32,33,34)/b6-4+
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| InChIKey |
MEPKDZIWZBITAX-GQCTYLIASA-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