General Information of the Compound
| Compound ID |
CP0438701
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| Compound Name |
N-[3-cyano-4-[3-[[2-(dimethylamino)acetyl]amino]phenyl]-6-(4-fluoro-2-hydroxyphenyl)pyridin-2-yl]furan-2-carboxamide
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| Structure |
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| Formula |
C27H22FN5O4
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| Molecular Weight |
499.502
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| Canonical SMILES |
CN(C)CC(=O)Nc1cccc(c1)-c1cc(nc(NC(=O)c2ccco2)c1C#N)-c1ccc(F)cc1O
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| InChI |
InChI=1S/C27H22FN5O4/c1-33(2)15-25(35)30-18-6-3-5-16(11-18)20-13-22(19-9-8-17(28)12-23(19)34)31-26(21(20)14-29)32-27(36)24-7-4-10-37-24/h3-13,34H,15H2,1-2H3,(H,30,35)(H,31,32,36)
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| InChIKey |
HYCGCNWUUVRFCO-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