General Information of the Compound
| Compound ID |
CP0376644
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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]-3-fluorobenzamide
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| Structure |
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| Formula |
C30H22FN7O
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| Molecular Weight |
515.552
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| Canonical SMILES |
Nc1ncccc1-c1nc2ccc(nc2n1-c1ccc(CNC(=O)c2cccc(F)c2)cc1)-c1cccnc1
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| InChI |
InChI=1S/C30H22FN7O/c31-22-6-1-4-20(16-22)30(39)35-17-19-8-10-23(11-9-19)38-28(24-7-3-15-34-27(24)32)37-26-13-12-25(36-29(26)38)21-5-2-14-33-18-21/h1-16,18H,17H2,(H2,32,34)(H,35,39)
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| InChIKey |
BGRFUXZINUEIPZ-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 = 10000 nM
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| CL000303 | AN3-CA | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 10000 nM
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LO
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