General Information of the Compound
| Compound ID |
CP0845777
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| Compound Name |
N-(2,6-difluorophenyl)-2-(methyloxy)-5-(3-{2-[(2-(methyloxy)-4-{1'-[2-(methylsulfonyl)ethyl]-4,4'-bipiperidin-1-yl}phenyl)amino]-4-pyrimidinyl}imidazo[1,2-a]pyridin-2-yl)benzamide
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| Structure |
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| Formula |
C45H48F2N8O5S
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| Molecular Weight |
850.993
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| Canonical SMILES |
COc1cc(N2CCC(C3CCN(CCS(C)(=O)=O)CC3)CC2)ccc1Nc1nccc(-c2c(-c3ccc(OC)c(C(=O)Nc4c(F)cccc4F)c3)nc3ccccn23)n1
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| InChI |
InChI=1S/C45H48F2N8O5S/c1-59-38-13-10-31(27-33(38)44(56)52-42-34(46)7-6-8-35(42)47)41-43(55-20-5-4-9-40(55)51-41)37-14-19-48-45(50-37)49-36-12-11-32(28-39(36)60-2)54-23-17-30(18-24-54)29-15-21-53(22-16-29)25-26-61(3,57)58/h4-14,19-20,27-30H,15-18,21-26H2,1-3H3,(H,52,56)(H,48,49,50)
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| InChIKey |
SZKHGQMZFXPSRC-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