General Information of the Compound
| Compound ID |
CP0909542
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| Compound Name |
Ethyl 4-((4-((4-(4-Cyano-2,6-dimethylphenoxy)thieno[2,3-d]-pyrimidin-2-yl)amino)piperidin-1-yl)methyl)benzoate
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| Structure |
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| Formula |
C30H31N5O3S
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| Molecular Weight |
541.677
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| Canonical SMILES |
CCOC(=O)c1ccc(CN2CCC(Nc3nc(Oc4c(C)cc(C#N)cc4C)c4ccsc4n3)CC2)cc1
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| InChI |
InChI=1S/C30H31N5O3S/c1-4-37-29(36)23-7-5-21(6-8-23)18-35-12-9-24(10-13-35)32-30-33-27(25-11-14-39-28(25)34-30)38-26-19(2)15-22(17-31)16-20(26)3/h5-8,11,14-16,24H,4,9-10,12-13,18H2,1-3H3,(H,32,33,34)
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| InChIKey |
KYRCDPFFMCLNFA-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: PT00005, Reverse transcriptase/RNaseH
Cell-based Assay