General Information of the Compound
| Compound ID |
CP0857326
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| Compound Name |
N-(2,6-difluorophenyl)-2-(ethyloxy)-5-(3-{2-[(2-(ethyloxy)-4-{4-[4-(methylsulfonyl)-1-piperazinyl]-1-piperidinyl}phenyl)amino]-4-pyrimidinyl}imidazo[1,2-a]pyridin-2-yl)benzamide
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| Structure |
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| Formula |
C44H47F2N9O5S
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| Molecular Weight |
851.981
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| Canonical SMILES |
CCOc1cc(N2CCC(N3CCN(S(C)(=O)=O)CC3)CC2)ccc1Nc1nccc(-c2c(-c3ccc(OCC)c(C(=O)Nc4c(F)cccc4F)c3)nc3ccccn23)n1
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| InChI |
InChI=1S/C44H47F2N9O5S/c1-4-59-37-15-12-29(27-32(37)43(56)51-41-33(45)9-8-10-34(41)46)40-42(55-20-7-6-11-39(55)50-40)36-16-19-47-44(49-36)48-35-14-13-31(28-38(35)60-5-2)52-21-17-30(18-22-52)53-23-25-54(26-24-53)61(3,57)58/h6-16,19-20,27-28,30H,4-5,17-18,21-26H2,1-3H3,(H,51,56)(H,47,48,49)
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| InChIKey |
SEGUQBWJEYPWCZ-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