General Information of the Compound
| Compound ID |
CP0449128
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| Compound Name |
4-ethyl-3-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1H-1,2,4-triazole-5-thione
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| Structure |
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| Formula |
C15H18N4OS
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| Molecular Weight |
302.403
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| Canonical SMILES |
CCn1c(CCc2c[nH]c3ccc(OC)cc23)n[nH]c1=S
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| InChI |
InChI=1S/C15H18N4OS/c1-3-19-14(17-18-15(19)21)7-4-10-9-16-13-6-5-11(20-2)8-12(10)13/h5-6,8-9,16H,3-4,7H2,1-2H3,(H,18,21)
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| InChIKey |
DMYOGSLQJSGABR-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