General Information of the Compound
| Compound ID |
CP0452009
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| Compound Name |
4-chloro-N-(2-(5-fluoro-2-(4-fluorophenylthio)benzo[b]thiophen-3-yl)ethyl)butanamide
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| Structure |
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| Formula |
C20H18ClF2NOS2
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| Molecular Weight |
425.953
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| Canonical SMILES |
Fc1ccc(Sc2sc3ccc(F)cc3c2CCNC(=O)CCCCl)cc1
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| InChI |
InChI=1S/C20H18ClF2NOS2/c21-10-1-2-19(25)24-11-9-16-17-12-14(23)5-8-18(17)27-20(16)26-15-6-3-13(22)4-7-15/h3-8,12H,1-2,9-11H2,(H,24,25)
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| InChIKey |
PJLJVZOATUOTRK-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