General Information of the Compound
| Compound ID |
CP0856495
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| Compound Name |
N-(2,6-difluorophenyl)-3-[3-(2-{[4-[(9aS)-hexahydropyrazino[2,1-c][1,4]oxazin-8(1H)-yl]-2-(methyloxy)phenyl]amino}-4-pyrimidinyl)imidazo[1,2-a]pyridin-2-yl]benzamide
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| Structure |
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| Formula |
C38H34F2N8O3
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| Molecular Weight |
688.739
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| Canonical SMILES |
COc1cc(N2CCN3CCOC[C@@H]3C2)ccc1Nc1nccc(-c2c(-c3cccc(C(=O)Nc4c(F)cccc4F)c3)nc3ccccn23)n1
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| InChI |
InChI=1S/C38H34F2N8O3/c1-50-32-21-26(47-17-16-46-18-19-51-23-27(46)22-47)11-12-30(32)42-38-41-14-13-31(43-38)36-34(44-33-10-2-3-15-48(33)36)24-6-4-7-25(20-24)37(49)45-35-28(39)8-5-9-29(35)40/h2-15,20-21,27H,16-19,22-23H2,1H3,(H,45,49)(H,41,42,43)/t27-/m0/s1
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| InChIKey |
QUDNSEPGTSESQY-MHZLTWQESA-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