General Information of the Compound
| Compound ID |
CP0848311
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| Compound Name |
N-(2,6-difluorophenyl)-2-(ethyloxy)-5-(3-{2-[(2-(methyloxy)-4-{4-[2-(methyloxy)ethyl]-1-piperazinyl}phenyl)amino]-4-pyrimidinyl}imidazo[1,2-a]pyridin-2-yl)benzamide
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| Structure |
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| Formula |
C40H40F2N8O4
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| Molecular Weight |
734.808
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| Canonical SMILES |
CCOc1ccc(-c2nc3ccccn3c2-c2ccnc(Nc3ccc(N4CCN(CCOC)CC4)cc3OC)n2)cc1C(=O)Nc1c(F)cccc1F
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| InChI |
InChI=1S/C40H40F2N8O4/c1-4-54-33-14-11-26(24-28(33)39(51)47-37-29(41)8-7-9-30(37)42)36-38(50-17-6-5-10-35(50)46-36)32-15-16-43-40(45-32)44-31-13-12-27(25-34(31)53-3)49-20-18-48(19-21-49)22-23-52-2/h5-17,24-25H,4,18-23H2,1-3H3,(H,47,51)(H,43,44,45)
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| InChIKey |
YFQKRLUWZVQGQS-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