General Information of the Compound
| Compound ID |
CP0448306
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| Compound Name |
N-[3-cyano-4-[3-[3-(ethylamino)pentanoylamino]phenyl]-6-(4-fluoro-2-hydroxyphenyl)pyridin-2-yl]furan-2-carboxamide
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| Structure |
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| Formula |
C30H28FN5O4
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| Molecular Weight |
541.583
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| Canonical SMILES |
CCNC(CC)CC(=O)Nc1cccc(c1)-c1cc(nc(NC(=O)c2ccco2)c1C#N)-c1ccc(F)cc1O
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| InChI |
InChI=1S/C30H28FN5O4/c1-3-20(33-4-2)15-28(38)34-21-8-5-7-18(13-21)23-16-25(22-11-10-19(31)14-26(22)37)35-29(24(23)17-32)36-30(39)27-9-6-12-40-27/h5-14,16,20,33,37H,3-4,15H2,1-2H3,(H,34,38)(H,35,36,39)
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| InChIKey |
LQGKAOHALGAYHK-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