General Information of the Compound
| Compound ID |
CP0944904
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| Compound Name |
N-(2,6-difluorophenyl)-2-(methyloxy)-5-(3-{2-[(2-(methyloxy)-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 |
C39H38F2N8O5S
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| Molecular Weight |
768.847
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| Canonical SMILES |
COc1cc(N2CCN(CCS(C)(=O)=O)CC2)ccc1Nc1nccc(-c2c(-c3ccc(OC)c(C(=O)Nc4c(F)cccc4F)c3)nc3ccccn23)n1
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| InChI |
InChI=1S/C39H38F2N8O5S/c1-53-32-13-10-25(23-27(32)38(50)46-36-28(40)7-6-8-29(36)41)35-37(49-16-5-4-9-34(49)45-35)31-14-15-42-39(44-31)43-30-12-11-26(24-33(30)54-2)48-19-17-47(18-20-48)21-22-55(3,51)52/h4-16,23-24H,17-22H2,1-3H3,(H,46,50)(H,42,43,44)
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| InChIKey |
RYENXMLACXHUQY-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