General Information of the Compound
| Compound ID |
CP0873438
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| Compound Name |
N-(2,6-difluorophenyl)-2-(methyloxy)-5-(3-{2-[(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 |
C42H43F2N9O5S
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| Molecular Weight |
823.927
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| Canonical SMILES |
COc1cc(N2CCC(N3CCN(S(C)(=O)=O)CC3)CC2)ccc1Nc1nccc(-c2c(-c3ccc(OC)c(C(=O)Nc4c(F)cccc4F)c3)nc3ccccn23)n1
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| InChI |
InChI=1S/C42H43F2N9O5S/c1-57-35-13-10-27(25-30(35)41(54)49-39-31(43)7-6-8-32(39)44)38-40(53-18-5-4-9-37(53)48-38)34-14-17-45-42(47-34)46-33-12-11-29(26-36(33)58-2)50-19-15-28(16-20-50)51-21-23-52(24-22-51)59(3,55)56/h4-14,17-18,25-26,28H,15-16,19-24H2,1-3H3,(H,49,54)(H,45,46,47)
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| InChIKey |
HJVBXNCPDWDXAB-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