General Information of the Compound
| Compound ID |
CP0904980
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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-(methyloxy)benzamide
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| Structure |
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| Formula |
C41H42F2N8O5S
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| Molecular Weight |
796.901
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| Canonical SMILES |
CCOc1cc(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/C41H42F2N8O5S/c1-5-56-35-25-33(50-19-17-49(18-20-50)21-22-57(4,53)54)26(2)23-32(35)46-41-44-15-14-31(45-41)39-37(47-36-11-6-7-16-51(36)39)27-12-13-34(55-3)28(24-27)40(52)48-38-29(42)9-8-10-30(38)43/h6-16,23-25H,5,17-22H2,1-4H3,(H,48,52)(H,44,45,46)
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| InChIKey |
PGQXZUDLYVXHJH-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