General Information of the Compound
| Compound ID |
CP0909974
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| Compound Name |
4-((3-((4-(4-Cyano-2,6-dimethylphenoxy)thieno[3,2-d]pyrimidin-2-yl)amino)piperidin-1-yl)methyl)benzamide
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| Structure |
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| Formula |
C28H28N6O2S
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| Molecular Weight |
512.639
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| Canonical SMILES |
Cc1cc(C#N)cc(C)c1Oc1nc(NC2CCCN(Cc3ccc(C(N)=O)cc3)C2)nc2ccsc12
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| InChI |
InChI=1S/C28H28N6O2S/c1-17-12-20(14-29)13-18(2)24(17)36-27-25-23(9-11-37-25)32-28(33-27)31-22-4-3-10-34(16-22)15-19-5-7-21(8-6-19)26(30)35/h5-9,11-13,22H,3-4,10,15-16H2,1-2H3,(H2,30,35)(H,31,32,33)
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| InChIKey |
FEWSRHFOOGYBFZ-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
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000247 | MT-4 | Homo sapiens (Human) | 1 |
| 1 |
CC50 = 19500 nM
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