General Information of the Compound
| Compound ID |
CP0888352
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| Compound Name |
N-(2,6-difluorophenyl)-3-[8-fluoro-3-(2-{[2-(methyloxy)-4-(4-{4-[2-(methylsulfonyl)ethyl]-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 |
C43H44F3N9O4S
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| Molecular Weight |
839.945
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| Canonical SMILES |
COc1cc(N2CCC(N3CCN(CCS(C)(=O)=O)CC3)CC2)ccc1Nc1nccc(-c2c(-c3cccc(C(=O)Nc4c(F)cccc4F)c3)nc3c(F)cccn23)n1
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| InChI |
InChI=1S/C43H44F3N9O4S/c1-59-37-27-31(53-18-14-30(15-19-53)54-22-20-52(21-23-54)24-25-60(2,57)58)11-12-35(37)48-43-47-16-13-36(49-43)40-38(50-41-34(46)10-5-17-55(40)41)28-6-3-7-29(26-28)42(56)51-39-32(44)8-4-9-33(39)45/h3-13,16-17,26-27,30H,14-15,18-25H2,1-2H3,(H,51,56)(H,47,48,49)
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| InChIKey |
SPCNHEOPZLHKNC-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