General Information of the Compound
| Compound ID |
CP0946229
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| Compound Name |
N-(2,6-difluorophenyl)-2-isopropoxy-5-{3-[2-({2-methoxy-4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl}amino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl}benzamide
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| Structure |
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| Formula |
C41H42F2N8O3
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| Molecular Weight |
732.836
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| Canonical SMILES |
COc1cc(CCN2CCN(C)CC2)ccc1Nc1nccc(-c2c(-c3ccc(OC(C)C)c(C(=O)Nc4c(F)cccc4F)c3)nc3ccccn23)n1
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| InChI |
InChI=1S/C41H42F2N8O3/c1-26(2)54-34-14-12-28(25-29(34)40(52)48-38-30(42)8-7-9-31(38)43)37-39(51-18-6-5-10-36(51)47-37)33-15-17-44-41(46-33)45-32-13-11-27(24-35(32)53-4)16-19-50-22-20-49(3)21-23-50/h5-15,17-18,24-26H,16,19-23H2,1-4H3,(H,48,52)(H,44,45,46)
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| InChIKey |
VNOHWDYBGWYKHY-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