General Information of the Compound
| Compound ID |
CP0928847
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| Compound Name |
N-(2,6-difluorophenyl)-5-[3-(2-{[4-[1'-(2-fluoroethyl)-4,4'-bipiperidin-1-yl]-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 |
C44H45F3N8O3
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| Molecular Weight |
790.891
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| Canonical SMILES |
COc1cc(N2CCC(C3CCN(CCF)CC3)CC2)ccc1Nc1nccc(-c2c(-c3ccc(OC)c(C(=O)Nc4c(F)cccc4F)c3)nc3ccccn23)n1
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| InChI |
InChI=1S/C44H45F3N8O3/c1-57-37-12-9-30(26-32(37)43(56)52-41-33(46)6-5-7-34(41)47)40-42(55-20-4-3-8-39(55)51-40)36-13-19-48-44(50-36)49-35-11-10-31(27-38(35)58-2)54-23-16-29(17-24-54)28-14-21-53(22-15-28)25-18-45/h3-13,19-20,26-29H,14-18,21-25H2,1-2H3,(H,52,56)(H,48,49,50)
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| InChIKey |
DQUNOABXRLVXIY-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