General Information of the Compound
| Compound ID |
CP0909537
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| Compound Name |
3,5-Dimethyl-4-((2-((1-(4-(methylsulfonyl)benzyl)piperidin-4-yl)-amino)thieno[2,3-d]pyrimidin-4-yl)oxy)benzonitrile
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| Structure |
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| Formula |
C28H29N5O3S2
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| Molecular Weight |
547.706
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| Canonical SMILES |
Cc1cc(C#N)cc(C)c1Oc1nc(NC2CCN(Cc3ccc(S(C)(=O)=O)cc3)CC2)nc2sccc12
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| InChI |
InChI=1S/C28H29N5O3S2/c1-18-14-21(16-29)15-19(2)25(18)36-26-24-10-13-37-27(24)32-28(31-26)30-22-8-11-33(12-9-22)17-20-4-6-23(7-5-20)38(3,34)35/h4-7,10,13-15,22H,8-9,11-12,17H2,1-3H3,(H,30,31,32)
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| InChIKey |
CZWPFWOPGZGECY-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