General Information of the Compound
| Compound ID |
CP0866990
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| Compound Name |
N-(2,6-difluorophenyl)-3-(3-{2-[(2-(ethyloxy)-4-{4-[2-(methylsulfonyl)ethyl]-1-piperazinyl}phenyl)amino]-4-pyrimidinyl}imidazo[1,2-a]pyridin-2-yl)benzamide
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| Structure |
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| Formula |
C39H38F2N8O4S
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| Molecular Weight |
752.848
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| Canonical SMILES |
CCOc1cc(N2CCN(CCS(C)(=O)=O)CC2)ccc1Nc1nccc(-c2c(-c3cccc(C(=O)Nc4c(F)cccc4F)c3)nc3ccccn23)n1
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| InChI |
InChI=1S/C39H38F2N8O4S/c1-3-53-33-25-28(48-20-18-47(19-21-48)22-23-54(2,51)52)13-14-31(33)43-39-42-16-15-32(44-39)37-35(45-34-12-4-5-17-49(34)37)26-8-6-9-27(24-26)38(50)46-36-29(40)10-7-11-30(36)41/h4-17,24-25H,3,18-23H2,1-2H3,(H,46,50)(H,42,43,44)
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| InChIKey |
NEVZWMZAOSTPNR-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