General Information of the Compound
| Compound ID |
CP0415411
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| Compound Name |
N-[[(2S,3R)-1-(2-methyl-5-phenyl-1,3-thiazole-4-carbonyl)-3-(trifluoromethyl)piperidin-2-yl]methyl]quinoline-8-carboxamide
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| Structure |
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| Formula |
C28H25F3N4O2S
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| Molecular Weight |
538.595
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| Canonical SMILES |
Cc1nc(C(=O)N2CCC[C@H]([C@H]2CNC(=O)c2cccc3cccnc23)C(F)(F)F)c(s1)-c1ccccc1
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| InChI |
InChI=1S/C28H25F3N4O2S/c1-17-34-24(25(38-17)19-8-3-2-4-9-19)27(37)35-15-7-13-21(28(29,30)31)22(35)16-33-26(36)20-12-5-10-18-11-6-14-32-23(18)20/h2-6,8-12,14,21-22H,7,13,15-16H2,1H3,(H,33,36)/t21-,22-/m1/s1
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| InChIKey |
JZHYQAVNBVKWNS-FGZHOGPDSA-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