General Information of the Compound
| Compound ID |
CP0406027
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| Compound Name |
3-(4-Bromophenylsulfonyl)thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-amine
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| Structure |
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| Formula |
C13H8BrN5O2S2
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| Molecular Weight |
410.278
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| Canonical SMILES |
Nc1nc2c(nnn2c2ccsc12)S(=O)(=O)c1ccc(Br)cc1
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| InChI |
InChI=1S/C13H8BrN5O2S2/c14-7-1-3-8(4-2-7)23(20,21)13-12-16-11(15)10-9(5-6-22-10)19(12)18-17-13/h1-6H,(H2,15,16)
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| InChIKey |
ZSVFGHLBECHGFS-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