General Information of the Compound
| Compound ID |
CP0272431
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| Compound Name |
4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-(pyrrolidin-3-ylmethoxy)-1H-imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol
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| Structure |
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| Formula |
C20H25N7O3
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| Molecular Weight |
411.466
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| Canonical SMILES |
CCn1c(nc2c(ncc(OCC3CCNC3)c12)C#CC(C)(C)O)-c1nonc1N
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| InChI |
InChI=1S/C20H25N7O3/c1-4-27-17-14(29-11-12-6-8-22-9-12)10-23-13(5-7-20(2,3)28)15(17)24-19(27)16-18(21)26-30-25-16/h10,12,22,28H,4,6,8-9,11H2,1-3H3,(H2,21,26)
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| InChIKey |
ATYOXMQKXVJYSG-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: PT00845, RAC-alpha serine/threonine-protein kinase
Protein ID: PT01184, Rho-associated protein kinase 1
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000227 | HFF | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 20100 nM
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