General Information of the Compound
| Compound ID |
CP0870980
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| Compound Name |
N-(2,6-difluorophenyl)-5-(3-{2-[(5-ethyl-2-(ethyloxy)-4-{4-[2-(methylsulfonyl)ethyl]-1-piperidinyl}phenyl)amino]-4-pyrimidinyl}imidazo[1,2-a]pyridin-2-yl)-2-(methyloxy)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(N2CCC(CCS(C)(=O)=O)CC2)c(CC)cc1Nc1nccc(-c2c(-c3ccc(OC)c(C(=O)Nc4c(F)cccc4F)c3)nc3ccccn23)n1
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| InChI |
InChI=1S/C43H45F2N7O5S/c1-5-28-25-34(37(57-6-2)26-35(28)51-21-16-27(17-22-51)18-23-58(4,54)55)48-43-46-19-15-33(47-43)41-39(49-38-12-7-8-20-52(38)41)29-13-14-36(56-3)30(24-29)42(53)50-40-31(44)10-9-11-32(40)45/h7-15,19-20,24-27H,5-6,16-18,21-23H2,1-4H3,(H,50,53)(H,46,47,48)
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| InChIKey |
RYVOUPQTJCDBGR-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