General Information of the Compound
| Compound ID |
CP0873434
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| Compound Name |
N-(2,6-difluorophenyl)-3-{3-[2-({2-(methyloxy)-4-[4-(trifluoromethyl)-1,4'-bipiperidin-1'-yl]phenyl}amino)-4-pyrimidinyl]imidazo[1,2-a]pyridin-2-yl}benzamide
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| Structure |
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| Formula |
C42H39F5N8O2
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| Molecular Weight |
782.818
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| Canonical SMILES |
COc1cc(N2CCC(N3CCC(C(F)(F)F)CC3)CC2)ccc1Nc1nccc(-c2c(-c3cccc(C(=O)Nc4c(F)cccc4F)c3)nc3ccccn23)n1
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| InChI |
InChI=1S/C42H39F5N8O2/c1-57-35-25-30(54-22-16-29(17-23-54)53-20-14-28(15-21-53)42(45,46)47)11-12-33(35)49-41-48-18-13-34(50-41)39-37(51-36-10-2-3-19-55(36)39)26-6-4-7-27(24-26)40(56)52-38-31(43)8-5-9-32(38)44/h2-13,18-19,24-25,28-29H,14-17,20-23H2,1H3,(H,52,56)(H,48,49,50)
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| InChIKey |
KJPGZMLTGYOXBT-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