General Information of the Compound
| Compound ID |
CP0467376
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| Compound Name |
N-[2-(2-butoxy-7-methoxynaphthalen-1-yl)ethyl]propanamide
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| Structure |
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| Formula |
C20H27NO3
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| Molecular Weight |
329.44
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| Canonical SMILES |
CCCCOc1ccc2ccc(OC)cc2c1CCNC(=O)CC
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| InChI |
InChI=1S/C20H27NO3/c1-4-6-13-24-19-10-8-15-7-9-16(23-3)14-18(15)17(19)11-12-21-20(22)5-2/h7-10,14H,4-6,11-13H2,1-3H3,(H,21,22)
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| InChIKey |
KGQKQUXHXIGDOT-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