General Information of the Compound
| Compound ID |
CP0475428
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| Compound Name |
3-(2,5-dimethylphenylsulfonyl)-5-(piperidin-1-yl)thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidine
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| Structure |
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| Formula |
C20H21N5O2S2
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| Molecular Weight |
427.555
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| Canonical SMILES |
Cc1ccc(C)c(c1)S(=O)(=O)c1nnn2c3ccsc3c(nc12)N1CCCCC1
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| InChI |
InChI=1S/C20H21N5O2S2/c1-13-6-7-14(2)16(12-13)29(26,27)20-19-21-18(24-9-4-3-5-10-24)17-15(8-11-28-17)25(19)23-22-20/h6-8,11-12H,3-5,9-10H2,1-2H3
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| InChIKey |
FXAUFXANVJZAJP-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