General Information of the Compound
| Compound ID |
CP0870764
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| Compound Name |
(E)-3-(4-((2-((1-(2-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(Cc3ccccc3Br)CC2)nc2ccsc12
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| InChI |
InChI=1S/C29H28BrN5OS/c1-19-16-21(6-5-12-31)17-20(2)26(19)36-28-27-25(11-15-37-27)33-29(34-28)32-23-9-13-35(14-10-23)18-22-7-3-4-8-24(22)30/h3-8,11,15-17,23H,9-10,13-14,18H2,1-2H3,(H,32,33,34)/b6-5+
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| InChIKey |
DPXYCURQGLYILK-AATRIKPKSA-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