General Information of the Compound
| Compound ID |
CP0489493
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| Compound Name |
3-(4-chlorophenylsulfonyl)-N-(2-methoxyphenyl)thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-amine
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| Structure |
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| Formula |
C20H14ClN5O3S2
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| Molecular Weight |
471.951
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| Canonical SMILES |
COc1ccccc1Nc1nc2c(nnn2c2ccsc12)S(=O)(=O)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C20H14ClN5O3S2/c1-29-16-5-3-2-4-14(16)22-18-17-15(10-11-30-17)26-19(23-18)20(24-25-26)31(27,28)13-8-6-12(21)7-9-13/h2-11H,1H3,(H,22,23)
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| InChIKey |
YYZIJPYEPLZBDH-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