General Information of the Compound
| Compound ID |
CP0416076
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| Compound Name |
N-[[(2S,6S)-1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-6-methylpiperidin-2-yl]methyl]-1-benzofuran-4-carboxamide
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| Structure |
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| Formula |
C27H26FN3O3S
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| Molecular Weight |
491.588
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| Canonical SMILES |
C[C@H]1CCC[C@@H](CNC(=O)c2cccc3occc23)N1C(=O)c1nc(C)sc1-c1ccc(F)cc1
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| InChI |
InChI=1S/C27H26FN3O3S/c1-16-5-3-6-20(15-29-26(32)22-7-4-8-23-21(22)13-14-34-23)31(16)27(33)24-25(35-17(2)30-24)18-9-11-19(28)12-10-18/h4,7-14,16,20H,3,5-6,15H2,1-2H3,(H,29,32)/t16-,20-/m0/s1
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| InChIKey |
OZQQWERPXKWLAA-JXFKEZNVSA-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: PT01132, Orexin receptor type 2
Protein ID: PT02001, Orexin/Hypocretin receptor type 1