General Information of the Compound
| Compound ID |
CP0913166
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| Compound Name |
N-(2,6-difluorophenyl)-2-(ethyloxy)-5-{3-[2-({2-(methyloxy)-4-[4-(methylsulfonyl)-1-piperazinyl]phenyl}amino)-4-pyrimidinyl]imidazo[1,2-a]pyridin-2-yl}benzamide
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| Structure |
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| Formula |
C38H36F2N8O5S
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| Molecular Weight |
754.82
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| Canonical SMILES |
CCOc1ccc(-c2nc3ccccn3c2-c2ccnc(Nc3ccc(N4CCN(S(C)(=O)=O)CC4)cc3OC)n2)cc1C(=O)Nc1c(F)cccc1F
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| InChI |
InChI=1S/C38H36F2N8O5S/c1-4-53-31-14-11-24(22-26(31)37(49)45-35-27(39)8-7-9-28(35)40)34-36(48-17-6-5-10-33(48)44-34)30-15-16-41-38(43-30)42-29-13-12-25(23-32(29)52-2)46-18-20-47(21-19-46)54(3,50)51/h5-17,22-23H,4,18-21H2,1-3H3,(H,45,49)(H,41,42,43)
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| InChIKey |
OFRBTEGWYCEAEP-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