General Information of the Compound
| Compound ID |
CP0856513
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| Compound Name |
N-(2,6-difluorophenyl)-2-(ethyloxy)-5-(3-{2-[(5-methyl-2-(methyloxy)-4-{4-[2-(methylsulfonyl)ethyl]hexahydro-1H-1,4-diazepin-1-yl}phenyl)amino]-4-pyrimidinyl}imidazo[1,2-a]pyridin-2-yl)benzamide
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| Structure |
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| Formula |
C42H44F2N8O5S
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| Molecular Weight |
810.928
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| Canonical SMILES |
CCOc1ccc(-c2nc3ccccn3c2-c2ccnc(Nc3cc(C)c(N4CCCN(CCS(C)(=O)=O)CC4)cc3OC)n2)cc1C(=O)Nc1c(F)cccc1F
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| InChI |
InChI=1S/C42H44F2N8O5S/c1-5-57-35-14-13-28(25-29(35)41(53)49-39-30(43)10-8-11-31(39)44)38-40(52-19-7-6-12-37(52)48-38)32-15-16-45-42(46-32)47-33-24-27(2)34(26-36(33)56-3)51-18-9-17-50(20-21-51)22-23-58(4,54)55/h6-8,10-16,19,24-26H,5,9,17-18,20-23H2,1-4H3,(H,49,53)(H,45,46,47)
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| InChIKey |
XMEQZGWERURFOO-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