General Information of the Compound
| Compound ID |
CP0848487
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| Compound Name |
N-(2,6-difluorophenyl)-5-(3-{2-[(5-ethyl-2-(ethyloxy)-4-{4-[2-(methylsulfonyl)ethyl]-1-piperidinyl}phenyl)amino]-4-pyrimidinyl}imidazo[1,2-a]pyridin-2-yl)-2-(ethyloxy)benzamide
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| Structure |
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| Formula |
C44H47F2N7O5S
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| Molecular Weight |
823.967
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| Canonical SMILES |
CCOc1cc(N2CCC(CCS(C)(=O)=O)CC2)c(CC)cc1Nc1nccc(-c2c(-c3ccc(OCC)c(C(=O)Nc4c(F)cccc4F)c3)nc3ccccn23)n1
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| InChI |
InChI=1S/C44H47F2N7O5S/c1-5-29-26-35(38(58-7-3)27-36(29)52-22-17-28(18-23-52)19-24-59(4,55)56)49-44-47-20-16-34(48-44)42-40(50-39-13-8-9-21-53(39)42)30-14-15-37(57-6-2)31(25-30)43(54)51-41-32(45)11-10-12-33(41)46/h8-16,20-21,25-28H,5-7,17-19,22-24H2,1-4H3,(H,51,54)(H,47,48,49)
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| InChIKey |
IWQCCUGBEIGWSH-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