General Information of the Compound
| Compound ID |
CP0870972
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| Compound Name |
N-(2,6-difluorophenyl)-5-(3-{2-[(5-ethyl-2-(methyloxy)-4-{4-[2-(methylsulfonyl)ethyl]-1-piperidinyl}phenyl)amino]-4-pyrimidinyl}imidazo[1,2-a]pyridin-2-yl)-2-(methyloxy)benzamide
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| Structure |
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| Formula |
C42H43F2N7O5S
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| Molecular Weight |
795.913
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| Canonical SMILES |
CCc1cc(Nc2nccc(-c3c(-c4ccc(OC)c(C(=O)Nc5c(F)cccc5F)c4)nc4ccccn34)n2)c(OC)cc1N1CCC(CCS(C)(=O)=O)CC1
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| InChI |
InChI=1S/C42H43F2N7O5S/c1-5-27-24-33(36(56-3)25-34(27)50-20-15-26(16-21-50)17-22-57(4,53)54)47-42-45-18-14-32(46-42)40-38(48-37-11-6-7-19-51(37)40)28-12-13-35(55-2)29(23-28)41(52)49-39-30(43)9-8-10-31(39)44/h6-14,18-19,23-26H,5,15-17,20-22H2,1-4H3,(H,49,52)(H,45,46,47)
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| InChIKey |
GMZFFCITNDNEBF-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