General Information of the Compound
| Compound ID |
CP0929069
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| Compound Name |
5-(3-{2-[(5-chloro-2-(methyloxy)-4-{4-[2-(methylsulfonyl)ethyl]-1-piperazinyl}phenyl)amino]-4-pyrimidinyl}imidazo[1,2-a]pyridin-2-yl)-N-(2,6-difluorophenyl)-2-(ethyloxy)benzamide
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| Structure |
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| Formula |
C41H41ClF2N8O5S
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| Molecular Weight |
831.346
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| Canonical SMILES |
CCOc1cc(N2CCN(CCS(C)(=O)=O)CC2)c(Cl)cc1Nc1nccc(-c2c(-c3ccc(OCC)c(C(=O)Nc4c(F)cccc4F)c3)nc3ccccn23)n1
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| InChI |
InChI=1S/C41H41ClF2N8O5S/c1-4-56-34-13-12-26(23-27(34)40(53)49-38-29(43)9-8-10-30(38)44)37-39(52-16-7-6-11-36(52)48-37)31-14-15-45-41(46-31)47-32-24-28(42)33(25-35(32)57-5-2)51-19-17-50(18-20-51)21-22-58(3,54)55/h6-16,23-25H,4-5,17-22H2,1-3H3,(H,49,53)(H,45,46,47)
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| InChIKey |
LPRBNEUFUZWEEI-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