General Information of the Compound
| Compound ID |
CP0509730
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| Compound Name |
3-(3,4-dimethylphenylsulfonyl)-N-(3-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 |
C22H19N5O3S2
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| Molecular Weight |
465.56
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| Canonical SMILES |
COc1cccc(Nc2nc3c(nnn3c3ccsc23)S(=O)(=O)c2ccc(C)c(C)c2)c1
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| InChI |
InChI=1S/C22H19N5O3S2/c1-13-7-8-17(11-14(13)2)32(28,29)22-21-24-20(23-15-5-4-6-16(12-15)30-3)19-18(9-10-31-19)27(21)26-25-22/h4-12H,1-3H3,(H,23,24)
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| InChIKey |
DLUVDXIJUNWRKV-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