General Information of the Compound
| Compound ID |
CP0471031
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| Compound Name |
N-[3-cyano-4-[3-[2-(dimethylamino)ethyl-methylamino]phenyl]-6-(4-fluoro-2-hydroxyphenyl)pyridin-2-yl]furan-2-carboxamide
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| Structure |
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| Formula |
C28H26FN5O3
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| Molecular Weight |
499.546
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| Canonical SMILES |
CN(C)CCN(C)c1cccc(c1)-c1cc(nc(NC(=O)c2ccco2)c1C#N)-c1ccc(F)cc1O
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| InChI |
InChI=1S/C28H26FN5O3/c1-33(2)11-12-34(3)20-7-4-6-18(14-20)22-16-24(21-10-9-19(29)15-25(21)35)31-27(23(22)17-30)32-28(36)26-8-5-13-37-26/h4-10,13-16,35H,11-12H2,1-3H3,(H,31,32,36)
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| InChIKey |
UYGVYXOUEMQEKH-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