General Information of the Compound
| Compound ID |
CP0398249
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| Compound Name |
4-ethyl-3-[(5-methoxy-1H-indol-3-yl)methyl]-1H-1,2,4-triazole-5-thione
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| Structure |
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| Formula |
C14H16N4OS
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| Molecular Weight |
288.376
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| Canonical SMILES |
CCn1c(Cc2c[nH]c3ccc(OC)cc23)n[nH]c1=S
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| InChI |
InChI=1S/C14H16N4OS/c1-3-18-13(16-17-14(18)20)6-9-8-15-12-5-4-10(19-2)7-11(9)12/h4-5,7-8,15H,3,6H2,1-2H3,(H,17,20)
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| InChIKey |
CDVYKIKHQZXGIL-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