General Information of the Compound
| Compound ID |
CP0424931
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| Compound Name |
N-[2-[5-fluoro-2-(4-fluorophenyl)sulfanyl-1-benzothiophen-3-yl]ethyl]acetamide
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| Structure |
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| Formula |
C18H15F2NOS2
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| Molecular Weight |
363.454
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| Canonical SMILES |
CC(=O)NCCc1c(Sc2ccc(F)cc2)sc2ccc(F)cc12
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| InChI |
InChI=1S/C18H15F2NOS2/c1-11(22)21-9-8-15-16-10-13(20)4-7-17(16)24-18(15)23-14-5-2-12(19)3-6-14/h2-7,10H,8-9H2,1H3,(H,21,22)
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| InChIKey |
QDUMTUZTHHQTAT-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