General Information of the Compound
| Compound ID |
CP0845778
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| Compound Name |
3-[3-(2-{[4-(1,4'-bipiperidin-1'-yl)-2,5-bis(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 |
C42H42F2N8O3
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| Molecular Weight |
744.847
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| Canonical SMILES |
COc1cc(N2CCC(N3CCCCC3)CC2)c(OC)cc1Nc1nccc(-c2c(-c3cccc(C(=O)Nc4c(F)cccc4F)c3)nc3ccccn23)n1
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| InChI |
InChI=1S/C42H42F2N8O3/c1-54-35-26-34(51-22-16-29(17-23-51)50-19-5-3-6-20-50)36(55-2)25-33(35)47-42-45-18-15-32(46-42)40-38(48-37-14-4-7-21-52(37)40)27-10-8-11-28(24-27)41(53)49-39-30(43)12-9-13-31(39)44/h4,7-15,18,21,24-26,29H,3,5-6,16-17,19-20,22-23H2,1-2H3,(H,49,53)(H,45,46,47)
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| InChIKey |
WNTSYJIBUPLYIH-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