General Information of the Compound
| Compound ID |
CP0866111
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| Compound Name |
N-(2,6-difluorophenyl)-3-(3-{2-[(2-(methyloxy)-4-{4-[2-(methylsulfonyl)ethyl]-1-piperazinyl}phenyl)amino]-4-pyrimidinyl}imidazo[1,2-a]pyridin-2-yl)benzamide
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| Structure |
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| Formula |
C38H36F2N8O4S
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| Molecular Weight |
738.821
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| Canonical SMILES |
COc1cc(N2CCN(CCS(C)(=O)=O)CC2)ccc1Nc1nccc(-c2c(-c3cccc(C(=O)Nc4c(F)cccc4F)c3)nc3ccccn23)n1
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| InChI |
InChI=1S/C38H36F2N8O4S/c1-52-32-24-27(47-19-17-46(18-20-47)21-22-53(2,50)51)12-13-30(32)42-38-41-15-14-31(43-38)36-34(44-33-11-3-4-16-48(33)36)25-7-5-8-26(23-25)37(49)45-35-28(39)9-6-10-29(35)40/h3-16,23-24H,17-22H2,1-2H3,(H,45,49)(H,41,42,43)
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| InChIKey |
ACEREWSFULKZGV-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