General Information of the Compound
| Compound ID |
CP0861240
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| Compound Name |
N-(2,6-difluorophenyl)-5-[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]-2-(methyloxy)-benzamide
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| Structure |
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| Formula |
C39H36F2N8O4
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| Molecular Weight |
718.765
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| Canonical SMILES |
COc1cc(N2CCN3CCOC[C@@H]3C2)ccc1Nc1nccc(-c2c(-c3ccc(OC)c(C(=O)Nc4c(F)cccc4F)c3)nc3ccccn23)n1
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| InChI |
InChI=1S/C39H36F2N8O4/c1-51-32-12-9-24(20-27(32)38(50)46-36-28(40)6-5-7-29(36)41)35-37(49-15-4-3-8-34(49)45-35)31-13-14-42-39(44-31)43-30-11-10-25(21-33(30)52-2)48-17-16-47-18-19-53-23-26(47)22-48/h3-15,20-21,26H,16-19,22-23H2,1-2H3,(H,46,50)(H,42,43,44)/t26-/m0/s1
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| InChIKey |
CRAVHEUWLSRUKN-SANMLTNESA-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