General Information of the Compound
| Compound ID |
CP0866112
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| Compound Name |
N-(2,6-difluorophenyl)-3-{3-[2-({5-methyl-2-(methyloxy)-4-[4-(methylsulfonyl)-1-piperazinyl]phenyl}amino)-4-pyrimidinyl]imidazo[1,2-a]pyridin-2-yl}benzamide
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| Structure |
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| Formula |
C37H34F2N8O4S
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| Molecular Weight |
724.794
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| Canonical SMILES |
COc1cc(N2CCN(S(C)(=O)=O)CC2)c(C)cc1Nc1nccc(-c2c(-c3cccc(C(=O)Nc4c(F)cccc4F)c3)nc3ccccn23)n1
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| InChI |
InChI=1S/C37H34F2N8O4S/c1-23-20-29(31(51-2)22-30(23)45-16-18-46(19-17-45)52(3,49)50)42-37-40-14-13-28(41-37)35-33(43-32-12-4-5-15-47(32)35)24-8-6-9-25(21-24)36(48)44-34-26(38)10-7-11-27(34)39/h4-15,20-22H,16-19H2,1-3H3,(H,44,48)(H,40,41,42)
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| InChIKey |
NLPVVRIYZYTTIS-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