General Information of the Compound
| Compound ID |
CP0454904
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| Compound Name |
N-[2-(4,9-dimethoxy-2,3-dihydro-1H-phenalen-1-yl)ethyl]acetamide
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| Structure |
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| Formula |
C19H23NO3
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| Molecular Weight |
313.397
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| Canonical SMILES |
COc1ccc2ccc(OC)c3C(CCNC(C)=O)CCc1c23
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| InChI |
InChI=1S/C19H23NO3/c1-12(21)20-11-10-14-4-7-15-16(22-2)8-5-13-6-9-17(23-3)19(14)18(13)15/h5-6,8-9,14H,4,7,10-11H2,1-3H3,(H,20,21)
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| InChIKey |
IPPMXJDAIUMTQR-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