General Information of the Compound
| Compound ID |
CP0870979
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| Compound Name |
N-(2,6-difluorophenyl)-2-(ethyloxy)-5-(3-{2-[(2-(ethyloxy)-4-{1-[2-(methylsulfonyl)ethyl]-4-piperidinyl}phenyl)amino]-4-pyrimidinyl}imidazo[1,2-a]pyridin-2-yl)benzamide
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| Structure |
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| Formula |
C42H43F2N7O5S
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| Molecular Weight |
795.913
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| Canonical SMILES |
CCOc1cc(C2CCN(CCS(C)(=O)=O)CC2)ccc1Nc1nccc(-c2c(-c3ccc(OCC)c(C(=O)Nc4c(F)cccc4F)c3)nc3ccccn23)n1
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| InChI |
InChI=1S/C42H43F2N7O5S/c1-4-55-35-15-13-29(25-30(35)41(52)49-39-31(43)9-8-10-32(39)44)38-40(51-20-7-6-11-37(51)48-38)34-16-19-45-42(47-34)46-33-14-12-28(26-36(33)56-5-2)27-17-21-50(22-18-27)23-24-57(3,53)54/h6-16,19-20,25-27H,4-5,17-18,21-24H2,1-3H3,(H,49,52)(H,45,46,47)
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| InChIKey |
QEIYGNNNDBHOTJ-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