General Information of the Compound
| Compound ID |
CP0857324
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| Compound Name |
N-(2,6-difluorophenyl)-5-(3-{2-[(5-ethyl-2-(ethyloxy)-4-{4-[4-(methylsulfonyl)-1-piperazinyl]-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 |
C46H51F2N9O5S
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| Molecular Weight |
880.035
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| Canonical SMILES |
CCOc1cc(N2CCC(N3CCN(S(C)(=O)=O)CC3)CC2)c(CC)cc1Nc1nccc(-c2c(-c3ccc(OCC)c(C(=O)Nc4c(F)cccc4F)c3)nc3ccccn23)n1
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| InChI |
InChI=1S/C46H51F2N9O5S/c1-5-30-28-37(40(62-7-3)29-38(30)55-21-17-32(18-22-55)54-23-25-56(26-24-54)63(4,59)60)51-46-49-19-16-36(50-46)44-42(52-41-13-8-9-20-57(41)44)31-14-15-39(61-6-2)33(27-31)45(58)53-43-34(47)11-10-12-35(43)48/h8-16,19-20,27-29,32H,5-7,17-18,21-26H2,1-4H3,(H,53,58)(H,49,50,51)
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| InChIKey |
GHKMIIZNOPPLTD-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