General Information of the Compound
| Compound ID |
CP0449413
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| Compound Name |
N-[2-(6-methoxy-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)ethyl]acetamide
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| Structure |
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| Formula |
C20H23NO2
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| Molecular Weight |
309.409
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| Canonical SMILES |
COc1ccc2Cc3ccccc3CC(CCNC(C)=O)c2c1
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| InChI |
InChI=1S/C20H23NO2/c1-14(22)21-10-9-18-12-16-6-4-3-5-15(16)11-17-7-8-19(23-2)13-20(17)18/h3-8,13,18H,9-12H2,1-2H3,(H,21,22)
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| InChIKey |
TWMLCXWVBHGTFP-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