General Information of the Compound
| Compound ID |
CP0430721
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| Compound Name |
N-[3-cyano-6-(4-fluoro-2-hydroxyphenyl)-4-[3-[[2-(methylamino)acetyl]amino]phenyl]pyridin-2-yl]furan-2-carboxamide
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| Structure |
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| Formula |
C26H20FN5O4
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| Molecular Weight |
485.475
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| Canonical SMILES |
CNCC(=O)Nc1cccc(c1)-c1cc(nc(NC(=O)c2ccco2)c1C#N)-c1ccc(F)cc1O
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| InChI |
InChI=1S/C26H20FN5O4/c1-29-14-24(34)30-17-5-2-4-15(10-17)19-12-21(18-8-7-16(27)11-22(18)33)31-25(20(19)13-28)32-26(35)23-6-3-9-36-23/h2-12,29,33H,14H2,1H3,(H,30,34)(H,31,32,35)
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| InChIKey |
ZRGNHLVJDQJHPA-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