General Information of the Compound
| Compound ID |
CP0489488
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| Compound Name |
3-(3-chlorophenylsulfonyl)-N-(1-phenylethyl)thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-amine
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| Structure |
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| Formula |
C21H16ClN5O2S2
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| Molecular Weight |
469.979
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| Canonical SMILES |
CC(Nc1nc2c(nnn2c2ccsc12)S(=O)(=O)c1cccc(Cl)c1)c1ccccc1
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| InChI |
InChI=1S/C21H16ClN5O2S2/c1-13(14-6-3-2-4-7-14)23-19-18-17(10-11-30-18)27-20(24-19)21(25-26-27)31(28,29)16-9-5-8-15(22)12-16/h2-13H,1H3,(H,23,24)
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| InChIKey |
DAKRZHYSOVYQMP-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