General Information of the Compound
| Compound ID |
CP0857270
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| Compound Name |
Ethyl(E)-4-((4-((4-(4-(2-Cyanovinyl)-2,6-dimethylphenoxy)thieno-[3,2-d]pyrimidin-2-yl)amino)piperidin-1-yl)methyl)benzoate
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| Structure |
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| Formula |
C32H33N5O3S
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| Molecular Weight |
567.715
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| Canonical SMILES |
CCOC(=O)c1ccc(CN2CCC(Nc3nc(Oc4c(C)cc(/C=C/C#N)cc4C)c4sccc4n3)CC2)cc1
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| InChI |
InChI=1S/C32H33N5O3S/c1-4-39-31(38)25-9-7-23(8-10-25)20-37-15-11-26(12-16-37)34-32-35-27-13-17-41-29(27)30(36-32)40-28-21(2)18-24(6-5-14-33)19-22(28)3/h5-10,13,17-19,26H,4,11-12,15-16,20H2,1-3H3,(H,34,35,36)/b6-5+
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| InChIKey |
LFZXUYIYSMYDAR-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
Cell-based Assay