General Information of the Compound
| Compound ID |
CP0520918
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| Compound Name |
N-[3-cyano-4-[3-(4-ethylpiperazin-1-yl)phenyl]-6-(4-fluoro-2-hydroxyphenyl)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 |
CCN1CCN(CC1)c1cccc(c1)-c1cc(nc(NC(=O)c2ccco2)c1C#N)-c1ccc(F)cc1O
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| InChI |
InChI=1S/C29H26FN5O3/c1-2-34-10-12-35(13-11-34)21-6-3-5-19(15-21)23-17-25(22-9-8-20(30)16-26(22)36)32-28(24(23)18-31)33-29(37)27-7-4-14-38-27/h3-9,14-17,36H,2,10-13H2,1H3,(H,32,33,37)
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| InChIKey |
JFEAGZFSEPIRLF-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
Protein ID: PT02017, KiSS-1 receptor
Protein ID: PT03721, KiSS-1 receptor