General Information of the Compound
| Compound ID |
CP0915875
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| Compound Name |
Ethyl4-((4-(4-Cyano-2,6-dimethylphenoxy)thieno[3,2-d]-pyrimidin-2-yl)amino)-1-(4-sulfamoylbenzyl)piperidine-3-carboxylate
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| Structure |
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| Formula |
C30H32N6O5S2
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| Molecular Weight |
620.757
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| Canonical SMILES |
CCOC(=O)C1CN(Cc2ccc(S(N)(=O)=O)cc2)CCC1Nc1nc(Oc2c(C)cc(C#N)cc2C)c2sccc2n1
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| InChI |
InChI=1S/C30H32N6O5S2/c1-4-40-29(37)23-17-36(16-20-5-7-22(8-6-20)43(32,38)39)11-9-24(23)33-30-34-25-10-12-42-27(25)28(35-30)41-26-18(2)13-21(15-31)14-19(26)3/h5-8,10,12-14,23-24H,4,9,11,16-17H2,1-3H3,(H2,32,38,39)(H,33,34,35)
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| InChIKey |
LDZHTDNTTOSZIC-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