General Information of the Compound
| Compound ID |
CP0418572
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| Compound Name |
N-[2-[3-(3-aminophenyl)-7-methoxynaphthalen-1-yl]ethyl]acetamide
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| Synonyms |
S 24773
S-24773
S24773
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| Structure |
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| Formula |
C21H22N2O2
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| Molecular Weight |
334.419
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| Canonical SMILES |
COc1ccc2cc(cc(CCNC(C)=O)c2c1)-c1cccc(N)c1
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| InChI |
InChI=1S/C21H22N2O2/c1-14(24)23-9-8-17-11-18(15-4-3-5-19(22)12-15)10-16-6-7-20(25-2)13-21(16)17/h3-7,10-13H,8-9,22H2,1-2H3,(H,23,24)
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| InChIKey |
RUYDBTKHRKQOLY-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
Clinical Information about the Compound