General Information of the Compound
| Compound ID |
CP0866989
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| Compound Name |
N-(2,6-difluorophenyl)-2-(ethyloxy)-5-(3-{2-[(2-(ethyloxy)-4-{4-[2-(methylsulfonyl)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 |
C41H42F2N8O5S
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| Molecular Weight |
796.901
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| Canonical SMILES |
CCOc1cc(N2CCN(CCS(C)(=O)=O)CC2)ccc1Nc1nccc(-c2c(-c3ccc(OCC)c(C(=O)Nc4c(F)cccc4F)c3)nc3ccccn23)n1
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| InChI |
InChI=1S/C41H42F2N8O5S/c1-4-55-34-15-12-27(25-29(34)40(52)48-38-30(42)9-8-10-31(38)43)37-39(51-18-7-6-11-36(51)47-37)33-16-17-44-41(46-33)45-32-14-13-28(26-35(32)56-5-2)50-21-19-49(20-22-50)23-24-57(3,53)54/h6-18,25-26H,4-5,19-24H2,1-3H3,(H,48,52)(H,44,45,46)
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| InChIKey |
SHGQVWJNIXCCRN-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