General Information of the Compound
| Compound ID |
CP0871077
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| Compound Name |
5-[3-(2-{[4-(1,4'-bipiperidin-1'-yl)-5-fluoro-2-(methyloxy)phenyl]amino}-4-pyrimidinyl)imidazo[1,2-a]pyridin-2-yl]-N-(2,6-difluorophenyl)-2-(methyloxy)benzamide
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| Structure |
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| Formula |
C42H41F3N8O3
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| Molecular Weight |
762.837
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| Canonical SMILES |
COc1cc(N2CCC(N3CCCCC3)CC2)c(F)cc1Nc1nccc(-c2c(-c3ccc(OC)c(C(=O)Nc4c(F)cccc4F)c3)nc3ccccn23)n1
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| InChI |
InChI=1S/C42H41F3N8O3/c1-55-35-13-12-26(23-28(35)41(54)50-39-29(43)9-8-10-30(39)44)38-40(53-20-7-4-11-37(53)49-38)32-14-17-46-42(47-32)48-33-24-31(45)34(25-36(33)56-2)52-21-15-27(16-22-52)51-18-5-3-6-19-51/h4,7-14,17,20,23-25,27H,3,5-6,15-16,18-19,21-22H2,1-2H3,(H,50,54)(H,46,47,48)
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| InChIKey |
DCAGKJGCAXCDAL-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