General Information of the Compound
| Compound ID |
CP0859756
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| Compound Name |
N-{2-[(3-Methoxyphenyl)thio]propyl}butanamide
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| Structure |
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| Formula |
C14H21NO2S
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| Molecular Weight |
267.394
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| Canonical SMILES |
CCCC(=O)NCC(C)Sc1cccc(OC)c1
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| InChI |
InChI=1S/C14H21NO2S/c1-4-6-14(16)15-10-11(2)18-13-8-5-7-12(9-13)17-3/h5,7-9,11H,4,6,10H2,1-3H3,(H,15,16)
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| InChIKey |
ROCNGHYQUYTCBB-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: PT01843, Melatonin receptor type 1A
Protein ID: PT02174, Melatonin receptor type 1B