General Information of the Compound
| Compound ID |
CP0504475
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| Compound Name |
3-(2,5-dimethylphenylsulfonyl)-5-(1-methylpiperidin-4-yl)thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidine
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| Structure |
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| Formula |
C21H23N5O2S2
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| Molecular Weight |
441.582
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| Canonical SMILES |
CN1CCC(CC1)c1nc2c(nnn2c2ccsc12)S(=O)(=O)c1cc(C)ccc1C
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| InChI |
InChI=1S/C21H23N5O2S2/c1-13-4-5-14(2)17(12-13)30(27,28)21-20-22-18(15-6-9-25(3)10-7-15)19-16(8-11-29-19)26(20)24-23-21/h4-5,8,11-12,15H,6-7,9-10H2,1-3H3
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| InChIKey |
RLYQIEILBIMMSQ-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