General Information of the Compound
| Compound ID |
CP0520782
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| Compound Name |
[(2S)-2-[2-(4-fluorophenoxy)ethyl]piperidin-1-yl]-naphthalen-1-ylmethanone
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| Structure |
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| Formula |
C24H24FNO2
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| Molecular Weight |
377.459
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| Canonical SMILES |
Fc1ccc(OCC[C@@H]2CCCCN2C(=O)c2cccc3ccccc23)cc1
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| InChI |
InChI=1S/C24H24FNO2/c25-19-11-13-21(14-12-19)28-17-15-20-8-3-4-16-26(20)24(27)23-10-5-7-18-6-1-2-9-22(18)23/h1-2,5-7,9-14,20H,3-4,8,15-17H2/t20-/m0/s1
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| InChIKey |
HZRQWFQNAXXWSG-FQEVSTJZSA-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