General Information of the Compound
| Compound ID |
CP0913163
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| Compound Name |
3-[3-(2-{[4-(1,4'-bipiperidin-1'-yl)-2-(methyloxy)phenyl]amino}-4-pyrimidinyl)-7-fluoroimidazo[1,2-a]pyridin-2-yl]-N-(2,6-difluorophenyl)benzamide
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| Structure |
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| Formula |
C41H39F3N8O2
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| Molecular Weight |
732.811
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| Canonical SMILES |
COc1cc(N2CCC(N3CCCCC3)CC2)ccc1Nc1nccc(-c2c(-c3cccc(C(=O)Nc4c(F)cccc4F)c3)nc3cc(F)ccn23)n1
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| InChI |
InChI=1S/C41H39F3N8O2/c1-54-35-25-30(51-20-15-29(16-21-51)50-18-3-2-4-19-50)11-12-33(35)46-41-45-17-13-34(47-41)39-37(48-36-24-28(42)14-22-52(36)39)26-7-5-8-27(23-26)40(53)49-38-31(43)9-6-10-32(38)44/h5-14,17,22-25,29H,2-4,15-16,18-21H2,1H3,(H,49,53)(H,45,46,47)
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| InChIKey |
HYTZXEGJTKFHQF-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