General Information of the Compound
| Compound ID |
CP0845836
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| Compound Name |
N-(2,6-difluorophenyl)-3-{3-[2-({2-(methyloxy)-4-[3-(1-piperidinyl)propyl]phenyl}amino)-4-pyrimidinyl]imidazo[1,2-a]pyridin-2-yl}benzamide
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| Structure |
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| Formula |
C39H37F2N7O2
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| Molecular Weight |
673.768
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| Canonical SMILES |
COc1cc(CCCN2CCCCC2)ccc1Nc1nccc(-c2c(-c3cccc(C(=O)Nc4c(F)cccc4F)c3)nc3ccccn23)n1
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| InChI |
InChI=1S/C39H37F2N7O2/c1-50-33-24-26(10-9-22-47-20-4-2-5-21-47)16-17-31(33)43-39-42-19-18-32(44-39)37-35(45-34-15-3-6-23-48(34)37)27-11-7-12-28(25-27)38(49)46-36-29(40)13-8-14-30(36)41/h3,6-8,11-19,23-25H,2,4-5,9-10,20-22H2,1H3,(H,46,49)(H,42,43,44)
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| InChIKey |
DAQHOWIUFIYRHR-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