General Information of the Compound
| Compound ID |
CP0935322
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| Compound Name |
N'-[3-(3-Chlorophenylsulfonyl)thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-yl]-N,N-dimethylethane-1,2-diamine dihydrochloride
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| Structure |
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| Formula |
C18H22Cl4N6O2S2
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| Molecular Weight |
560.36
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| Canonical SMILES |
CN(C)CCN(C)c1nc2c(S(=O)(=O)c3cccc(Cl)c3)nnn2c2ccsc12.Cl.Cl.Cl
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| InChI |
InChI=1S/C18H19ClN6O2S2.3ClH/c1-23(2)8-9-24(3)16-15-14(7-10-28-15)25-17(20-16)18(21-22-25)29(26,27)13-6-4-5-12(19)11-13;;;/h4-7,10-11H,8-9H2,1-3H3;3*1H
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| InChIKey |
SPFASSKNTNFMHG-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