General Information of the Compound
| Compound ID |
CP0421762
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| Compound Name |
N-[3-(3-methoxy-N-methylanilino)propyl]acetamide
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| Structure |
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| Formula |
C13H20N2O2
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| Molecular Weight |
236.315
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| Canonical SMILES |
COc1cccc(c1)N(C)CCCNC(C)=O
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| InChI |
InChI=1S/C13H20N2O2/c1-11(16)14-8-5-9-15(2)12-6-4-7-13(10-12)17-3/h4,6-7,10H,5,8-9H2,1-3H3,(H,14,16)
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| InChIKey |
IOVQUBPZDPOXNJ-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