General Information of the Compound
| Compound ID |
CP0454803
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| Compound Name |
N-[[1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]quinoline-8-carboxamide
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| Structure |
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| Formula |
C27H25FN4O2S
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| Molecular Weight |
488.588
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| Canonical SMILES |
Cc1nc(C(=O)N2CCCCC2CNC(=O)c2cccc3cccnc23)c(s1)-c1ccc(F)cc1
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| InChI |
InChI=1S/C27H25FN4O2S/c1-17-31-24(25(35-17)19-10-12-20(28)13-11-19)27(34)32-15-3-2-8-21(32)16-30-26(33)22-9-4-6-18-7-5-14-29-23(18)22/h4-7,9-14,21H,2-3,8,15-16H2,1H3,(H,30,33)
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| InChIKey |
GDIVCKLSNKXINP-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: PT01132, Orexin receptor type 2
Protein ID: PT02001, Orexin/Hypocretin receptor type 1