General Information of the Compound
| Compound ID |
CP0733191
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| Compound Name |
3-(2-methylpyridin-4-yl)-5-(vinylsulfonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
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| Structure |
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| Formula |
C14H16N4O2S
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| Molecular Weight |
304.375
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| Canonical SMILES |
C=CS(=O)(=O)N1CCc2[nH]nc(-c3ccnc(C)c3)c2C1
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| InChI |
InChI=1S/C14H16N4O2S/c1-3-21(19,20)18-7-5-13-12(9-18)14(17-16-13)11-4-6-15-10(2)8-11/h3-4,6,8H,1,5,7,9H2,2H3,(H,16,17)
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| InChIKey |
QUUCFUYEUOFYMK-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: PT00850, Mitogen-activated protein kinase 1
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000045 | A-375 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 1400 nM
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