General Information of the Compound
| Compound ID |
CP0084894
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| Compound Name |
3-[2-(4-methylsulfonylphenyl)pyrimidin-4-yl]-1H-pyrrolo[2,3-c]pyridine
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| Structure |
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| Formula |
C18H14N4O2S
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| Molecular Weight |
350.403
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| Canonical SMILES |
CS(=O)(=O)c1ccc(cc1)-c1nccc(n1)-c1c[nH]c2cnccc12
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| InChI |
InChI=1S/C18H14N4O2S/c1-25(23,24)13-4-2-12(3-5-13)18-20-9-7-16(22-18)15-10-21-17-11-19-8-6-14(15)17/h2-11,21H,1H3
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| InChIKey |
QEASAEABBPXQEO-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: PT00874, Cyclin-dependent kinase 2
Protein ID: PT01056, Dual specificity tyrosine-phosphorylation-regulated kinase 1B