General Information of the Compound
| Compound ID |
CP0913164
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| Compound Name |
N-(2,6-difluorophenyl)-5-(3-{2-[(2-(ethyloxy)-5-methyl-4-{4-[2-(methylsulfonyl)ethyl]-1-piperidinyl}phenyl)amino]-4-pyrimidinyl}-7-fluoroimidazo[1,2-a]pyridin-2-yl)-2-(methyloxy)benzamide
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| Structure |
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| Formula |
C42H42F3N7O5S
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| Molecular Weight |
813.903
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| Canonical SMILES |
CCOc1cc(N2CCC(CCS(C)(=O)=O)CC2)c(C)cc1Nc1nccc(-c2c(-c3ccc(OC)c(C(=O)Nc4c(F)cccc4F)c3)nc3cc(F)ccn23)n1
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| InChI |
InChI=1S/C42H42F3N7O5S/c1-5-57-36-24-34(51-17-12-26(13-18-51)15-20-58(4,54)55)25(2)21-33(36)48-42-46-16-11-32(47-42)40-38(49-37-23-28(43)14-19-52(37)40)27-9-10-35(56-3)29(22-27)41(53)50-39-30(44)7-6-8-31(39)45/h6-11,14,16,19,21-24,26H,5,12-13,15,17-18,20H2,1-4H3,(H,50,53)(H,46,47,48)
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| InChIKey |
HALNQUOIFUZUOJ-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