General Information of the Compound
| Compound ID |
CP0857311
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| Compound Name |
N-(2,6-difluorophenyl)-5-(3-{2-[(5-methyl-2-(methyloxy)-4-{4-[2-(methylsulfonyl)ethyl]-1-piperazinyl}phenyl)amino]-4-pyrimidinyl}imidazo[1,2-a]pyridin-2-yl)-2-(methyloxy)benzamide
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| Structure |
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| Formula |
C40H40F2N8O5S
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| Molecular Weight |
782.874
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| Canonical SMILES |
COc1cc(N2CCN(CCS(C)(=O)=O)CC2)c(C)cc1Nc1nccc(-c2c(-c3ccc(OC)c(C(=O)Nc4c(F)cccc4F)c3)nc3ccccn23)n1
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| InChI |
InChI=1S/C40H40F2N8O5S/c1-25-22-31(34(55-3)24-32(25)49-18-16-48(17-19-49)20-21-56(4,52)53)45-40-43-14-13-30(44-40)38-36(46-35-10-5-6-15-50(35)38)26-11-12-33(54-2)27(23-26)39(51)47-37-28(41)8-7-9-29(37)42/h5-15,22-24H,16-21H2,1-4H3,(H,47,51)(H,43,44,45)
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| InChIKey |
JYNNMNUKSKPNKE-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