General Information of the Compound
| Compound ID |
CP0267767
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| Compound Name |
N-[(3-bromo-6-methoxy-1H-indol-2-yl)methyl]propanamide
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| Structure |
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| Formula |
C13H15BrN2O2
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| Molecular Weight |
311.179
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| Canonical SMILES |
CCC(=O)NCc1[nH]c2cc(OC)ccc2c1Br
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| InChI |
InChI=1S/C13H15BrN2O2/c1-3-12(17)15-7-11-13(14)9-5-4-8(18-2)6-10(9)16-11/h4-6,16H,3,7H2,1-2H3,(H,15,17)
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| InChIKey |
BNBJOVOLBQVUBD-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