General Information of the Compound
| Compound ID |
CP0845804
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| Compound Name |
N-(2,6-difluorophenyl)-3-(3-(2-((2-(methyloxy)-4-(4-(2-(methylsulfonyl)ethyl)-1,4'-bipiperidin-1'-yl)phenyl)amino)-4-pyrimidinyl)imidazo(1,2-a)pyridin-2-yl)benzamide
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| Structure |
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| Formula |
C44H46F2N8O4S
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| Molecular Weight |
820.967
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| Canonical SMILES |
COc1cc(N2CCC(N3CCC(CCS(C)(=O)=O)CC3)CC2)ccc1Nc1nccc(-c2c(-c3cccc(C(=O)Nc4c(F)cccc4F)c3)nc3ccccn23)n1
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| InChI |
InChI=1S/C44H46F2N8O4S/c1-58-38-28-33(53-24-17-32(18-25-53)52-22-15-29(16-23-52)19-26-59(2,56)57)12-13-36(38)48-44-47-20-14-37(49-44)42-40(50-39-11-3-4-21-54(39)42)30-7-5-8-31(27-30)43(55)51-41-34(45)9-6-10-35(41)46/h3-14,20-21,27-29,32H,15-19,22-26H2,1-2H3,(H,51,55)(H,47,48,49)
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| InChIKey |
XPHRONAXLUTSIR-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