General Information of the Compound
| Compound ID |
CP0866958
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| Compound Name |
N-(2,6-difluorophenyl)-3-(3-{2-[(5-methyl-2-(methyloxy)-4-{4-[4-(methylsulfonyl)-1-piperazinyl]-1-piperidinyl}phenyl)amino]-4-pyrimidinyl}imidazo[1,2-a]pyridin-2-yl)benzamide
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| Structure |
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| Formula |
C42H43F2N9O4S
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| Molecular Weight |
807.928
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| Canonical SMILES |
COc1cc(N2CCC(N3CCN(S(C)(=O)=O)CC3)CC2)c(C)cc1Nc1nccc(-c2c(-c3cccc(C(=O)Nc4c(F)cccc4F)c3)nc3ccccn23)n1
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| InChI |
InChI=1S/C42H43F2N9O4S/c1-27-24-34(36(57-2)26-35(27)51-18-14-30(15-19-51)50-20-22-52(23-21-50)58(3,55)56)47-42-45-16-13-33(46-42)40-38(48-37-12-4-5-17-53(37)40)28-8-6-9-29(25-28)41(54)49-39-31(43)10-7-11-32(39)44/h4-13,16-17,24-26,30H,14-15,18-23H2,1-3H3,(H,49,54)(H,45,46,47)
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| InChIKey |
IPFPMJCFPRMCII-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