General Information of the Compound
| Compound ID |
CP0440134
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| Compound Name |
N-[2-(4,9-dimethoxy-2,3-dihydro-1H-phenalen-1-yl)ethyl]propanamide
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| Structure |
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| Formula |
C20H25NO3
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| Molecular Weight |
327.424
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| Canonical SMILES |
CCC(=O)NCCC1CCc2c(OC)ccc3ccc(OC)c1c23
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| InChI |
InChI=1S/C20H25NO3/c1-4-18(22)21-12-11-14-5-8-15-16(23-2)9-6-13-7-10-17(24-3)20(14)19(13)15/h6-7,9-10,14H,4-5,8,11-12H2,1-3H3,(H,21,22)
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| InChIKey |
NSEAOKKQWABVSA-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