General Information of the Compound
| Compound ID |
CP0930489
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| Compound Name |
4-((4-(4-Cyano-2,6-dimethylphenoxy)thieno[3,2-d]pyrimidin-2-yl)amino)-1-(4-sulfamoylbenzyl)piperidine-3-carboxylic Acid
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| Structure |
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| Formula |
C28H28N6O5S2
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| Molecular Weight |
592.703
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| Canonical SMILES |
Cc1cc(C#N)cc(C)c1Oc1nc(NC2CCN(Cc3ccc(S(N)(=O)=O)cc3)CC2C(=O)O)nc2ccsc12
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| InChI |
InChI=1S/C28H28N6O5S2/c1-16-11-19(13-29)12-17(2)24(16)39-26-25-23(8-10-40-25)32-28(33-26)31-22-7-9-34(15-21(22)27(35)36)14-18-3-5-20(6-4-18)41(30,37)38/h3-6,8,10-12,21-22H,7,9,14-15H2,1-2H3,(H,35,36)(H2,30,37,38)(H,31,32,33)
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| InChIKey |
BSWNDEYADIPZAM-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 = 27600 nM
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