General Information of the Compound
| Compound ID |
CP0435508
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| Compound Name |
N-[[1-(benzenesulfonyl)-4-methoxyindol-2-yl]methyl]propanamide
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| Structure |
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| Formula |
C19H20N2O4S
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| Molecular Weight |
372.446
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| Canonical SMILES |
CCC(=O)NCc1cc2c(OC)cccc2n1S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C19H20N2O4S/c1-3-19(22)20-13-14-12-16-17(10-7-11-18(16)25-2)21(14)26(23,24)15-8-5-4-6-9-15/h4-12H,3,13H2,1-2H3,(H,20,22)
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| InChIKey |
JUQRTIXIBNGZLP-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