General Information of the Compound
| Compound ID |
CP0901853
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| Compound Name |
N-(2,6-difluorophenyl)-2-(ethyloxy)-5-(3-{2-[(2-(methyloxy)-4-{4-[2-(methylsulfonyl)ethyl]-1-piperidinyl}phenyl)amino]-4-pyrimidinyl}imidazo[1,2-a]pyridin-2-yl)benzamide
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| Structure |
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| Formula |
C41H41F2N7O5S
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| Molecular Weight |
781.886
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| Canonical SMILES |
CCOc1ccc(-c2nc3ccccn3c2-c2ccnc(Nc3ccc(N4CCC(CCS(C)(=O)=O)CC4)cc3OC)n2)cc1C(=O)Nc1c(F)cccc1F
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| InChI |
InChI=1S/C41H41F2N7O5S/c1-4-55-34-14-11-27(24-29(34)40(51)48-38-30(42)8-7-9-31(38)43)37-39(50-20-6-5-10-36(50)47-37)33-15-19-44-41(46-33)45-32-13-12-28(25-35(32)54-2)49-21-16-26(17-22-49)18-23-56(3,52)53/h5-15,19-20,24-26H,4,16-18,21-23H2,1-3H3,(H,48,51)(H,44,45,46)
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| InChIKey |
JBUBDFWLYHSIEN-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