General Information of the Compound
| Compound ID |
CP0513535
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| Compound Name |
(2-methyl-4-phenyl-1,3-thiazol-5-yl)-[2-[[[5-(trifluoromethyl)pyridin-2-yl]amino]methyl]piperidin-1-yl]methanone
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| Structure |
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| Formula |
C23H23F3N4OS
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| Molecular Weight |
460.525
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| Canonical SMILES |
Cc1nc(c(s1)C(=O)N1CCCCC1CNc1ccc(cn1)C(F)(F)F)-c1ccccc1
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| InChI |
InChI=1S/C23H23F3N4OS/c1-15-29-20(16-7-3-2-4-8-16)21(32-15)22(31)30-12-6-5-9-18(30)14-28-19-11-10-17(13-27-19)23(24,25)26/h2-4,7-8,10-11,13,18H,5-6,9,12,14H2,1H3,(H,27,28)
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| InChIKey |
AZZBTULNABQPFK-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