General Information of the Compound
| Compound ID |
CP0435977
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| Compound Name |
[(2S)-5-fluoro-2-[[[5-(trifluoromethyl)pyridin-2-yl]amino]methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone
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| Structure |
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| Formula |
C23H22F4N4OS
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| Molecular Weight |
478.515
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| Canonical SMILES |
Cc1nc(C(=O)N2CC(F)CC[C@H]2CNc2ccc(cn2)C(F)(F)F)c(s1)-c1ccccc1
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| InChI |
InChI=1S/C23H22F4N4OS/c1-14-30-20(21(33-14)15-5-3-2-4-6-15)22(32)31-13-17(24)8-9-18(31)12-29-19-10-7-16(11-28-19)23(25,26)27/h2-7,10-11,17-18H,8-9,12-13H2,1H3,(H,28,29)/t17?,18-/m0/s1
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| InChIKey |
GJDYBOVHDFWUGD-ZVAWYAOSSA-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