General Information of the Compound
| Compound ID |
CP0523832
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| Compound Name |
3-(3-chlorophenylsulfonyl)-5-(4-methylpiperidin-1-yl)thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidine
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| Structure |
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| Formula |
C19H18ClN5O2S2
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| Molecular Weight |
447.973
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| Canonical SMILES |
CC1CCN(CC1)c1nc2c(nnn2c2ccsc12)S(=O)(=O)c1cccc(Cl)c1
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| InChI |
InChI=1S/C19H18ClN5O2S2/c1-12-5-8-24(9-6-12)17-16-15(7-10-28-16)25-18(21-17)19(22-23-25)29(26,27)14-4-2-3-13(20)11-14/h2-4,7,10-12H,5-6,8-9H2,1H3
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| InChIKey |
ZVBVKNXKVQQDIR-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