General Information of the Compound
| Compound ID |
CP0381570
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| Compound Name |
3-[(5-methoxy-1H-indol-3-yl)methyl]-4-methyl-1H-1,2,4-triazol-5-one
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| Structure |
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| Formula |
C13H14N4O2
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| Molecular Weight |
258.281
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| Canonical SMILES |
COc1ccc2[nH]cc(Cc3n[nH]c(=O)n3C)c2c1
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| InChI |
InChI=1S/C13H14N4O2/c1-17-12(15-16-13(17)18)5-8-7-14-11-4-3-9(19-2)6-10(8)11/h3-4,6-7,14H,5H2,1-2H3,(H,16,18)
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| InChIKey |
JNDDZHSVVIYAPH-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