General Information of the Compound
| Compound ID |
CP0848471
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| Compound Name |
N-(2,6-difluorophenyl)-5-[3-(2-{[4-[4-(l-methylethyl)-1-piperazinyl]-2-(methyloxy)phenyl]-amino}-4-pyrimidinyl)imidazo[1,2-a]pyridin-2-yl]-2-(methyloxy)benzamide
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| Structure |
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| Formula |
C39H38F2N8O3
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| Molecular Weight |
704.782
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| Canonical SMILES |
COc1cc(N2CCN(C(C)C)CC2)ccc1Nc1nccc(-c2c(-c3ccc(OC)c(C(=O)Nc4c(F)cccc4F)c3)nc3ccccn23)n1
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| InChI |
InChI=1S/C39H38F2N8O3/c1-24(2)47-18-20-48(21-19-47)26-12-13-30(33(23-26)52-4)43-39-42-16-15-31(44-39)37-35(45-34-10-5-6-17-49(34)37)25-11-14-32(51-3)27(22-25)38(50)46-36-28(40)8-7-9-29(36)41/h5-17,22-24H,18-21H2,1-4H3,(H,46,50)(H,42,43,44)
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| InChIKey |
TVWAYYKSTVUYBC-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