General Information of the Compound
| Compound ID |
CP0861241
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| Compound Name |
N-(2,6-difluorophenyl)-3-(3-{2-[(2-(ethyloxy)-4-{1-[2-(methylsulfonyl)ethyl]-4-piperidinyl}phenyl)amino]-4-pyrimidinyl}imidazo[1,2-a]pyridin-2-yl)benzamide
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| Structure |
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| Formula |
C40H39F2N7O4S
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| Molecular Weight |
751.86
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| Canonical SMILES |
CCOc1cc(C2CCN(CCS(C)(=O)=O)CC2)ccc1Nc1nccc(-c2c(-c3cccc(C(=O)Nc4c(F)cccc4F)c3)nc3ccccn23)n1
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| InChI |
InChI=1S/C40H39F2N7O4S/c1-3-53-34-25-27(26-16-20-48(21-17-26)22-23-54(2,51)52)13-14-32(34)44-40-43-18-15-33(45-40)38-36(46-35-12-4-5-19-49(35)38)28-8-6-9-29(24-28)39(50)47-37-30(41)10-7-11-31(37)42/h4-15,18-19,24-26H,3,16-17,20-23H2,1-2H3,(H,47,50)(H,43,44,45)
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| InChIKey |
VWWDKFOSAHCQHN-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