General Information of the Compound
| Compound ID |
CP0921733
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| Compound Name |
3-[3-(2-{[4-(1,4'-bipiperidin-1'-yl)-3-methyl-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 |
C42H42F2N8O2
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| Molecular Weight |
728.848
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| Canonical SMILES |
COc1c(Nc2nccc(-c3c(-c4cccc(C(=O)Nc5c(F)cccc5F)c4)nc4ccccn34)n2)ccc(N2CCC(N3CCCCC3)CC2)c1C
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| InChI |
InChI=1S/C42H42F2N8O2/c1-27-35(51-24-18-30(19-25-51)50-21-5-3-6-22-50)16-15-34(40(27)54-2)47-42-45-20-17-33(46-42)39-37(48-36-14-4-7-23-52(36)39)28-10-8-11-29(26-28)41(53)49-38-31(43)12-9-13-32(38)44/h4,7-17,20,23,26,30H,3,5-6,18-19,21-22,24-25H2,1-2H3,(H,49,53)(H,45,46,47)
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| InChIKey |
CJCLLABTYLICAO-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