General Information of the Compound
| Compound ID |
CP0452008
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| Compound Name |
N-[2-[5-fluoro-2-(4-fluorophenyl)sulfanyl-1-benzothiophen-3-yl]ethyl]cyclobutanecarboxamide
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| Structure |
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| Formula |
C21H19F2NOS2
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| Molecular Weight |
403.519
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| Canonical SMILES |
Fc1ccc(Sc2sc3ccc(F)cc3c2CCNC(=O)C2CCC2)cc1
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| InChI |
InChI=1S/C21H19F2NOS2/c22-14-4-7-16(8-5-14)26-21-17(10-11-24-20(25)13-2-1-3-13)18-12-15(23)6-9-19(18)27-21/h4-9,12-13H,1-3,10-11H2,(H,24,25)
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| InChIKey |
HOEKPTBRWZYWIL-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