General Information of the Compound
| Compound ID |
CP0471032
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| Compound Name |
N-[3-cyano-4-[3-[(4-ethylpiperazin-1-yl)methyl]phenyl]-6-(4-fluoro-2-hydroxyphenyl)pyridin-2-yl]furan-2-carboxamide
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| Structure |
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| Formula |
C30H28FN5O3
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| Molecular Weight |
525.584
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| Canonical SMILES |
CCN1CCN(Cc2cccc(c2)-c2cc(nc(NC(=O)c3ccco3)c2C#N)-c2ccc(F)cc2O)CC1
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| InChI |
InChI=1S/C30H28FN5O3/c1-2-35-10-12-36(13-11-35)19-20-5-3-6-21(15-20)24-17-26(23-9-8-22(31)16-27(23)37)33-29(25(24)18-32)34-30(38)28-7-4-14-39-28/h3-9,14-17,37H,2,10-13,19H2,1H3,(H,33,34,38)
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| InChIKey |
JLOUFXQEQKGJOU-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