General Information of the Compound
| Compound ID |
CP0906438
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| Compound Name |
4-(((4-((4-(4-Cyano-2,6-dimethylphenoxy)thieno[3,2-d]pyrimidin-2-yl)amino)cyclohexyl)amino)methyl)benzamide
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| Structure |
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| Formula |
C29H30N6O2S
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| Molecular Weight |
526.666
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| Canonical SMILES |
Cc1cc(C#N)cc(C)c1Oc1nc(NC2CCC(NCc3ccc(C(N)=O)cc3)CC2)nc2ccsc12
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| InChI |
InChI=1S/C29H30N6O2S/c1-17-13-20(15-30)14-18(2)25(17)37-28-26-24(11-12-38-26)34-29(35-28)33-23-9-7-22(8-10-23)32-16-19-3-5-21(6-4-19)27(31)36/h3-6,11-14,22-23,32H,7-10,16H2,1-2H3,(H2,31,36)(H,33,34,35)
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| InChIKey |
RZCBDSQDFHKZDI-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