General Information of the Compound
| Compound ID |
CP0504244
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| Compound Name |
N-[3-cyano-6-(4-fluoro-2-hydroxyphenyl)-4-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridin-2-yl]furan-2-carboxamide
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| Structure |
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| Formula |
C29H26FN5O3
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| Molecular Weight |
511.557
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| Canonical SMILES |
CN1CCN(Cc2cccc(c2)-c2cc(nc(NC(=O)c3ccco3)c2C#N)-c2ccc(F)cc2O)CC1
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| InChI |
InChI=1S/C29H26FN5O3/c1-34-9-11-35(12-10-34)18-19-4-2-5-20(14-19)23-16-25(22-8-7-21(30)15-26(22)36)32-28(24(23)17-31)33-29(37)27-6-3-13-38-27/h2-8,13-16,36H,9-12,18H2,1H3,(H,32,33,37)
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| InChIKey |
XMWFUPCFCYHRKO-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