General Information of the Compound
| Compound ID |
CP0848472
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| Compound Name |
N-(2,6-difluorophenyl)-5-(3-{2-[(2-(ethyloxy)-4-{1-[2-(methylsulfonyl)ethyl]-4-piperidinyl}phenyl)amino]-4-pyrimidinyl}imidazo[1,2-a]pyridin-2-yl)-2-[(1-methylethyl)oxy]benzamide
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| Structure |
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| Formula |
C43H45F2N7O5S
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| Molecular Weight |
809.94
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| Canonical SMILES |
CCOc1cc(C2CCN(CCS(C)(=O)=O)CC2)ccc1Nc1nccc(-c2c(-c3ccc(OC(C)C)c(C(=O)Nc4c(F)cccc4F)c3)nc3ccccn23)n1
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| InChI |
InChI=1S/C43H45F2N7O5S/c1-5-56-37-26-29(28-17-21-51(22-18-28)23-24-58(4,54)55)12-14-34(37)47-43-46-19-16-35(48-43)41-39(49-38-11-6-7-20-52(38)41)30-13-15-36(57-27(2)3)31(25-30)42(53)50-40-32(44)9-8-10-33(40)45/h6-16,19-20,25-28H,5,17-18,21-24H2,1-4H3,(H,50,53)(H,46,47,48)
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| InChIKey |
UXHKADSZBWDTQA-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