General Information of the Compound
| Compound ID |
CP0921732
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| Compound Name |
N-(2,6-difluorophenyl)-3-(3-(2-(2-methyl-3-((4-methylpiperazin-1-yl)methyl)phenylamino)pyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl)benzamide
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| Structure |
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| Formula |
C37H34F2N8O
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| Molecular Weight |
644.73
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| Canonical SMILES |
Cc1c(CN2CCN(C)CC2)cccc1Nc1nccc(-c2c(-c3cccc(C(=O)Nc4c(F)cccc4F)c3)nc3ccccn23)n1
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| InChI |
InChI=1S/C37H34F2N8O/c1-24-27(23-46-20-18-45(2)19-21-46)10-6-13-30(24)41-37-40-16-15-31(42-37)35-33(43-32-14-3-4-17-47(32)35)25-8-5-9-26(22-25)36(48)44-34-28(38)11-7-12-29(34)39/h3-17,22H,18-21,23H2,1-2H3,(H,44,48)(H,40,41,42)
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| InChIKey |
ZDAMHYQVVDUIAD-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