General Information of the Compound
| Compound ID |
CP0888370
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| Compound Name |
N-(2,6-difluorophenyl)-5-(3-{2-[(2-(ethyloxy)-5-methyl-4-{4-[2-(methylsulfonyl)ethyl]-1-piperazinyl}phenyl)amino]-4-pyrimidinyl}imidazo[1,2-a]pyridin-2-yl)-2-[(1-methylethyl)oxy]benzamide
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| Structure |
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| Formula |
C43H46F2N8O5S
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| Molecular Weight |
824.955
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| Canonical SMILES |
CCOc1cc(N2CCN(CCS(C)(=O)=O)CC2)c(C)cc1Nc1nccc(-c2c(-c3ccc(OC(C)C)c(C(=O)Nc4c(F)cccc4F)c3)nc3ccccn23)n1
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| InChI |
InChI=1S/C43H46F2N8O5S/c1-6-57-37-26-35(52-20-18-51(19-21-52)22-23-59(5,55)56)28(4)24-34(37)48-43-46-16-15-33(47-43)41-39(49-38-12-7-8-17-53(38)41)29-13-14-36(58-27(2)3)30(25-29)42(54)50-40-31(44)10-9-11-32(40)45/h7-17,24-27H,6,18-23H2,1-5H3,(H,50,54)(H,46,47,48)
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| InChIKey |
FXVGZPIAXBZHIS-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