General Information of the Compound
| Compound ID |
CP0475424
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| Compound Name |
3-(2,5-dimethylphenylsulfonyl)-N-(3-methoxypropyl)thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-amine
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| Structure |
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| Formula |
C19H21N5O3S2
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| Molecular Weight |
431.543
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| Canonical SMILES |
COCCCNc1nc2c(nnn2c2ccsc12)S(=O)(=O)c1cc(C)ccc1C
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| InChI |
InChI=1S/C19H21N5O3S2/c1-12-5-6-13(2)15(11-12)29(25,26)19-18-21-17(20-8-4-9-27-3)16-14(7-10-28-16)24(18)23-22-19/h5-7,10-11H,4,8-9H2,1-3H3,(H,20,21)
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| InChIKey |
VVTXLZAHQASDJJ-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