General Information of the Compound
| Compound ID |
CP0401209
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| Compound Name |
N-ethyl-5-[(5-methoxy-1H-indol-3-yl)methyl]-1,3,4-thiadiazol-2-amine
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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 |
CCNc1nnc(Cc2c[nH]c3ccc(OC)cc23)s1
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| InChI |
InChI=1S/C14H16N4OS/c1-3-15-14-18-17-13(20-14)6-9-8-16-12-5-4-10(19-2)7-11(9)12/h4-5,7-8,16H,3,6H2,1-2H3,(H,15,18)
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| InChIKey |
DIDVMNKRIDUMKO-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