General Information of the Compound
| Compound ID |
CP0848528
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| Compound Name |
N-(2,6-difluorophenyl)-3-[3-(2-{[4-{4-[4-(2-fluoroethyl)-1-piperazinyl]-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 |
C42H42F3N9O2
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| Molecular Weight |
761.853
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| Canonical SMILES |
COc1cc(N2CCC(N3CCN(CCF)CC3)CC2)ccc1Nc1nccc(-c2c(-c3cccc(C(=O)Nc4c(F)cccc4F)c3)nc3ccccn23)n1
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| InChI |
InChI=1S/C42H42F3N9O2/c1-56-36-27-31(52-19-14-30(15-20-52)53-24-22-51(21-16-43)23-25-53)11-12-34(36)47-42-46-17-13-35(48-42)40-38(49-37-10-2-3-18-54(37)40)28-6-4-7-29(26-28)41(55)50-39-32(44)8-5-9-33(39)45/h2-13,17-18,26-27,30H,14-16,19-25H2,1H3,(H,50,55)(H,46,47,48)
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| InChIKey |
LMQDTWBHMQUBJX-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