General Information of the Compound
| Compound ID |
CP0845774
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| Compound Name |
N-(2,6-difluorophenyl)-3-[3-(2-{[4-{4-[(9aS)-hexahydropyrazino[2,1-c][1,4]oxazin-8(1H)-yl]-1-piperidinyl}-2-(methyloxy)phenyl]amino}-4-pyrimidinyl)imidazo[1,2-a]pyridin-2-yl]benzamide
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| Structure |
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| Formula |
C43H43F2N9O3
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| Molecular Weight |
771.873
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| Canonical SMILES |
COc1cc(N2CCC(N3CCN4CCOC[C@@H]4C3)CC2)ccc1Nc1nccc(-c2c(-c3cccc(C(=O)Nc4c(F)cccc4F)c3)nc3ccccn23)n1
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| InChI |
InChI=1S/C43H43F2N9O3/c1-56-37-25-31(51-18-14-30(15-19-51)53-21-20-52-22-23-57-27-32(52)26-53)11-12-35(37)47-43-46-16-13-36(48-43)41-39(49-38-10-2-3-17-54(38)41)28-6-4-7-29(24-28)42(55)50-40-33(44)8-5-9-34(40)45/h2-13,16-17,24-25,30,32H,14-15,18-23,26-27H2,1H3,(H,50,55)(H,46,47,48)/t32-/m0/s1
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| InChIKey |
BXJGPJQHCSKCBC-YTTGMZPUSA-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