General Information of the Compound
| Compound ID |
CP0873685
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| Compound Name |
N-(2,6-difluorophenyl)-3-{3-[2-({2-(ethyloxy)-4-[2-(4-methyl-1-piperazinyl)ethyl]-phenyl}amino)-4-pyrimidinyl]imidazo[1,2-a]pyridin-2-yl}benzamide
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| Structure |
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| Formula |
C37H34F2N8O2
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| Molecular Weight |
660.729
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| Canonical SMILES |
CCOc1cc(N2CCN(C)CC2)ccc1Nc1nccc(-c2c(-c3cccc(C(=O)Nc4c(F)cccc4F)c3)nc3ccccn23)n1
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| InChI |
InChI=1S/C37H34F2N8O2/c1-3-49-31-23-26(46-20-18-45(2)19-21-46)13-14-29(31)41-37-40-16-15-30(42-37)35-33(43-32-12-4-5-17-47(32)35)24-8-6-9-25(22-24)36(48)44-34-27(38)10-7-11-28(34)39/h4-17,22-23H,3,18-21H2,1-2H3,(H,44,48)(H,40,41,42)
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| InChIKey |
PGUQUVFEUSASNX-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: PT01101, Insulin receptor
Protein ID: PT01104, Insulin-like growth factor 1 receptor