General Information of the Compound
| Compound ID |
CP0867166
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| Compound Name |
3-[3-(2-{[5-chloro-4-{4-[4-(2-fluoroethyl)-1-piperazinyl]-1-piperidinyl}-2-(methyloxy)phenyl]amino}-4-pyrimidinyl)imidazo[1,2-a]pyridin-2-yl]-N-(2,6-difluorophenyl)benzamide
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| Structure |
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| Formula |
C42H41ClF3N9O2
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| Molecular Weight |
796.298
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| Canonical SMILES |
COc1cc(N2CCC(N3CCN(CCF)CC3)CC2)c(Cl)cc1Nc1nccc(-c2c(-c3cccc(C(=O)Nc4c(F)cccc4F)c3)nc3ccccn23)n1
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| InChI |
InChI=1S/C42H41ClF3N9O2/c1-57-36-26-35(54-17-12-29(13-18-54)53-22-20-52(19-14-44)21-23-53)30(43)25-34(36)49-42-47-15-11-33(48-42)40-38(50-37-10-2-3-16-55(37)40)27-6-4-7-28(24-27)41(56)51-39-31(45)8-5-9-32(39)46/h2-11,15-16,24-26,29H,12-14,17-23H2,1H3,(H,51,56)(H,47,48,49)
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| InChIKey |
XEEYLVLZLHHLIR-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