General Information of the Compound
| Compound ID |
CP0405685
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| Compound Name |
4-[[4-[[4-(4-cyano-2,6-dimethylphenoxy)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]amino]piperidin-1-yl]methyl]benzenesulfonamide
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| Structure |
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| Formula |
C27H29N7O3S
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| Molecular Weight |
531.642
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| Canonical SMILES |
Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3ccc(cc3)S(N)(=O)=O)CC2)nc2cc[nH]c12)C#N
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| InChI |
InChI=1S/C27H29N7O3S/c1-17-13-20(15-28)14-18(2)25(17)37-26-24-23(7-10-30-24)32-27(33-26)31-21-8-11-34(12-9-21)16-19-3-5-22(6-4-19)38(29,35)36/h3-7,10,13-14,21,30H,8-9,11-12,16H2,1-2H3,(H2,29,35,36)(H,31,32,33)
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| InChIKey |
XVUDRALPLQPOCV-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