General Information of the Compound
| Compound ID |
CP0452010
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| Compound Name |
N-[2-[5-fluoro-2-(4-fluorophenyl)sulfanyl-1-benzothiophen-3-yl]ethyl]propanamide
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| Structure |
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| Formula |
C19H17F2NOS2
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| Molecular Weight |
377.481
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| Canonical SMILES |
CCC(=O)NCCc1c(Sc2ccc(F)cc2)sc2ccc(F)cc12
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| InChI |
InChI=1S/C19H17F2NOS2/c1-2-18(23)22-10-9-15-16-11-13(21)5-8-17(16)25-19(15)24-14-6-3-12(20)4-7-14/h3-8,11H,2,9-10H2,1H3,(H,22,23)
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| InChIKey |
YSLKHVWOBDFWHD-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