General Information of the Compound
| Compound ID |
CP0904977
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| Compound Name |
3-[3-(2-{[4-(3,3-difluoro-1,4'-bipiperidin-1'-yl)-2-(methyloxy)phenyl]amino}-4-pyrimidinyl)imidazo[1,2-a]pyridin-2-yl]-N-(2,6-difluorophenyl)benzamide
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| Structure |
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| Formula |
C41H38F4N8O2
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| Molecular Weight |
750.801
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| Canonical SMILES |
COc1cc(N2CCC(N3CCCC(F)(F)C3)CC2)ccc1Nc1nccc(-c2c(-c3cccc(C(=O)Nc4c(F)cccc4F)c3)nc3ccccn23)n1
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| InChI |
InChI=1S/C41H38F4N8O2/c1-55-34-24-29(51-21-15-28(16-22-51)52-19-6-17-41(44,45)25-52)12-13-32(34)47-40-46-18-14-33(48-40)38-36(49-35-11-2-3-20-53(35)38)26-7-4-8-27(23-26)39(54)50-37-30(42)9-5-10-31(37)43/h2-5,7-14,18,20,23-24,28H,6,15-17,19,21-22,25H2,1H3,(H,50,54)(H,46,47,48)
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| InChIKey |
OWIJBTMYCYTUAQ-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