General Information of the Compound
| Compound ID |
CP0856500
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| Compound Name |
N-(2,6-difluorophenyl)-5-{3-[2-({5-methyl-2-(methyloxy)-4-[4-(methylsulfonyl)-1-piperazinyl]phenyl}amino)-4-pyrimidinyl]imidazo[1,2-a]pyridin-2-yl}-2-(methyloxy)benzamide
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| Structure |
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| Formula |
C39H38F2N8O5S
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| Molecular Weight |
768.847
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| Canonical SMILES |
CCOc1cc(N2CCN(S(C)(=O)=O)CC2)c(C)cc1Nc1nccc(-c2c(-c3ccc(OC)c(C(=O)Nc4c(F)cccc4F)c3)nc3ccccn23)n1
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| InChI |
InChI=1S/C39H38F2N8O5S/c1-5-54-33-23-31(47-17-19-48(20-18-47)55(4,51)52)24(2)21-30(33)44-39-42-15-14-29(43-39)37-35(45-34-11-6-7-16-49(34)37)25-12-13-32(53-3)26(22-25)38(50)46-36-27(40)9-8-10-28(36)41/h6-16,21-23H,5,17-20H2,1-4H3,(H,46,50)(H,42,43,44)
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| InChIKey |
XSXVTOKBIMMTQI-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