General Information of the Compound
| Compound ID |
CP0845809
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| Compound Name |
3-{3-[2-({5-fluoro-2-(methyloxy)-4-[2-(1-piperidinyl)ethyl]phenyl}amino)-4-pyrimidinyl]imidazo[1,2-a]pyridin-2-yl}-N-(2,4,6-trifluorophenyl)benzamide
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| Structure |
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| Formula |
C38H33F4N7O2
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| Molecular Weight |
695.721
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| Canonical SMILES |
COc1cc(CCN2CCCCC2)c(F)cc1Nc1nccc(-c2c(-c3cccc(C(=O)Nc4c(F)cc(F)cc4F)c3)nc3ccccn23)n1
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| InChI |
InChI=1S/C38H33F4N7O2/c1-51-32-19-23(12-17-48-14-4-2-5-15-48)27(40)22-31(32)45-38-43-13-11-30(44-38)36-34(46-33-10-3-6-16-49(33)36)24-8-7-9-25(18-24)37(50)47-35-28(41)20-26(39)21-29(35)42/h3,6-11,13,16,18-22H,2,4-5,12,14-15,17H2,1H3,(H,47,50)(H,43,44,45)
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| InChIKey |
XAJAVOWYQZVTMK-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