General Information of the Compound
| Compound ID |
CP0397469
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| Compound Name |
N-[[4-[2-(2-aminopyridin-3-yl)-5-pyridin-3-ylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]benzamide
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| Structure |
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| Formula |
C30H23N7O
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| Molecular Weight |
497.562
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| Canonical SMILES |
Nc1ncccc1-c1nc2ccc(nc2n1-c1ccc(CNC(=O)c2ccccc2)cc1)-c1cccnc1
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| InChI |
InChI=1S/C30H23N7O/c31-27-24(9-5-17-33-27)28-36-26-15-14-25(22-8-4-16-32-19-22)35-29(26)37(28)23-12-10-20(11-13-23)18-34-30(38)21-6-2-1-3-7-21/h1-17,19H,18H2,(H2,31,33)(H,34,38)
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| InChIKey |
CUYYDAXVKOOZIZ-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
Cell-based Assay
Protein ID: PT01131, RAC-beta serine/threonine-protein kinase
Protein ID: PT01022, RAC-gamma serine/threonine-protein kinase
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000072 | A2780 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 23000 nM
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