General Information of the Compound
| Compound ID |
CP0867165
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| Compound Name |
N-(2,6-difluorophenyl)-3-[3-(2-{[2-(methyloxy)-4-(4-{1-[2-(methylsulfonyl)ethyl]-4-piperidinyl}-1-piperazinyl)phenyl]amino}-4-pyrimidinyl)imidazo[1,2-a]pyridin-2-yl]benzamide
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| Structure |
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| Formula |
C43H45F2N9O4S
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| Molecular Weight |
821.955
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| Canonical SMILES |
COc1cc(N2CCN(C3CCN(CCS(C)(=O)=O)CC3)CC2)ccc1Nc1nccc(-c2c(-c3cccc(C(=O)Nc4c(F)cccc4F)c3)nc3ccccn23)n1
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| InChI |
InChI=1S/C43H45F2N9O4S/c1-58-37-28-32(53-23-21-52(22-24-53)31-15-19-51(20-16-31)25-26-59(2,56)57)12-13-35(37)47-43-46-17-14-36(48-43)41-39(49-38-11-3-4-18-54(38)41)29-7-5-8-30(27-29)42(55)50-40-33(44)9-6-10-34(40)45/h3-14,17-18,27-28,31H,15-16,19-26H2,1-2H3,(H,50,55)(H,46,47,48)
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| InChIKey |
INVMPRFXHXSFLZ-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