General Information of the Compound
| Compound ID |
CP0569186
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| Compound Name |
2-[5-[2-(6-aminopyridin-3-yl)ethynyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
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| Structure |
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| Formula |
C26H20FN7O2S
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| Molecular Weight |
513.558
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| Canonical SMILES |
Nc1ccc(cn1)C#Cc1cc2C(=O)N(Cc2c(F)c1)C(C(=O)Nc1nccs1)c1ncn2CCCc12
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| InChI |
InChI=1S/C26H20FN7O2S/c27-19-11-16(4-3-15-5-6-21(28)30-12-15)10-17-18(19)13-34(25(17)36)23(24(35)32-26-29-7-9-37-26)22-20-2-1-8-33(20)14-31-22/h5-7,9-12,14,23H,1-2,8,13H2,(H2,28,30)(H,29,32,35)
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| InChIKey |
GTKRDVGWBDNWDV-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