General Information of the Compound
| Compound ID |
CP0475298
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| Compound Name |
N-(2,6-difluorophenyl)-3-[3-[2-[2-methoxy-4-(4-pyrrolidin-1-ylpiperidin-1-yl)anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide
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| Structure |
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| Formula |
C40H38F2N8O2
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| Molecular Weight |
700.794
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| Canonical SMILES |
COc1cc(ccc1Nc1nccc(n1)-c1c(nc2ccccn12)-c1cccc(c1)C(=O)Nc1c(F)cccc1F)N1CCC(CC1)N1CCCC1
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| InChI |
InChI=1S/C40H38F2N8O2/c1-52-34-25-29(49-22-16-28(17-23-49)48-19-4-5-20-48)13-14-32(34)44-40-43-18-15-33(45-40)38-36(46-35-12-2-3-21-50(35)38)26-8-6-9-27(24-26)39(51)47-37-30(41)10-7-11-31(37)42/h2-3,6-15,18,21,24-25,28H,4-5,16-17,19-20,22-23H2,1H3,(H,47,51)(H,43,44,45)
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| InChIKey |
RMAFRQFHWPJSJM-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