General Information of the Compound
| Compound ID |
CP0912086
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| Compound Name |
N-(2,6-difluorophenyl)-2-(methyloxy)-5-{3-[2-({2-(methyloxy)-4-[3-(4-methyl-1-piperazinyl)propyl]phenyl}amino)-4-pyrimidinyl]imidazo[1,2-a]pyridin-2-yl}benzamide
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| Structure |
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| Formula |
C40H40F2N8O3
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| Molecular Weight |
718.809
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| Canonical SMILES |
COc1cc(CCCN2CCN(C)CC2)ccc1Nc1nccc(-c2c(-c3ccc(OC)c(C(=O)Nc4c(F)cccc4F)c3)nc3ccccn23)n1
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| InChI |
InChI=1S/C40H40F2N8O3/c1-48-20-22-49(23-21-48)18-7-8-26-12-14-31(34(24-26)53-3)44-40-43-17-16-32(45-40)38-36(46-35-11-4-5-19-50(35)38)27-13-15-33(52-2)28(25-27)39(51)47-37-29(41)9-6-10-30(37)42/h4-6,9-17,19,24-25H,7-8,18,20-23H2,1-3H3,(H,47,51)(H,43,44,45)
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| InChIKey |
OPZAFLHJJXYWKF-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