General Information of the Compound
| Compound ID |
CP0385534
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| Compound Name |
[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[(2S,6S)-2-methyl-6-[[[5-(trifluoromethyl)pyridin-2-yl]amino]methyl]piperidin-1-yl]methanone
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| Structure |
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| Formula |
C24H24F4N4OS
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| Molecular Weight |
492.542
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| Canonical SMILES |
C[C@H]1CCC[C@@H](CNc2ccc(cn2)C(F)(F)F)N1C(=O)c1nc(C)sc1-c1ccc(F)cc1
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| InChI |
InChI=1S/C24H24F4N4OS/c1-14-4-3-5-19(13-30-20-11-8-17(12-29-20)24(26,27)28)32(14)23(33)21-22(34-15(2)31-21)16-6-9-18(25)10-7-16/h6-12,14,19H,3-5,13H2,1-2H3,(H,29,30)/t14-,19-/m0/s1
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| InChIKey |
SBWIUDUFVJTASW-LIRRHRJNSA-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