General Information of the Compound
| Compound ID |
CP0413644
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| Compound Name |
4-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylthieno[2,3-d]pyrimidine
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| Structure |
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| Formula |
C13H7ClN6S2
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| Molecular Weight |
346.828
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| Canonical SMILES |
Clc1ccc(cc1)-n1nnnc1Sc1ncnc2sccc12
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| InChI |
InChI=1S/C13H7ClN6S2/c14-8-1-3-9(4-2-8)20-13(17-18-19-20)22-12-10-5-6-21-11(10)15-7-16-12/h1-7H
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| InChIKey |
FEXPLGPKTJVGOT-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
Protein ID: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06172, Mothers against decapentaplegic homolog 3
Protein ID: PT01214, Tyrosine-protein kinase JAK2