General Information of the Compound
| Compound ID |
CP0504015
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| Compound Name |
3-(4-(2-Acetylaminoethyl)-6-methoxynaphth-2-yl)benzoic acid
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| Structure |
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| Formula |
C22H21NO4
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| Molecular Weight |
363.413
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| Canonical SMILES |
COc1ccc2cc(cc(CCNC(C)=O)c2c1)-c1cccc(c1)C(O)=O
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| InChI |
InChI=1S/C22H21NO4/c1-14(24)23-9-8-17-12-19(15-4-3-5-18(10-15)22(25)26)11-16-6-7-20(27-2)13-21(16)17/h3-7,10-13H,8-9H2,1-2H3,(H,23,24)(H,25,26)
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| InChIKey |
FEMYGWCVZJKDNV-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