General Information of the Compound
| Compound ID |
CP0921759
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| Compound Name |
N-(2,6-difluorophenyl)-5-[3-(2-{[4-(4-hydroxy-1,4'-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 |
C42H42F2N8O4
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| Molecular Weight |
760.846
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| Canonical SMILES |
COc1cc(N2CCC(N3CCC(O)CC3)CC2)ccc1Nc1nccc(-c2c(-c3ccc(OC)c(C(=O)Nc4c(F)cccc4F)c3)nc3ccccn23)n1
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| InChI |
InChI=1S/C42H42F2N8O4/c1-55-35-12-9-26(24-30(35)41(54)49-39-31(43)6-5-7-32(39)44)38-40(52-19-4-3-8-37(52)48-38)34-13-18-45-42(47-34)46-33-11-10-28(25-36(33)56-2)51-20-14-27(15-21-51)50-22-16-29(53)17-23-50/h3-13,18-19,24-25,27,29,53H,14-17,20-23H2,1-2H3,(H,49,54)(H,45,46,47)
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| InChIKey |
MRHINXBPDMMURR-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