General Information of the Compound
| Compound ID |
CP0456126
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| Compound Name |
3-[4-(2-Acetylaminoethyl)-6-methoxynaphth-2-yl]benzoic acid methyl ester
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| Structure |
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| Formula |
C23H23NO4
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| Molecular Weight |
377.44
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| Canonical SMILES |
COC(=O)c1cccc(c1)-c1cc(CCNC(C)=O)c2cc(OC)ccc2c1
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| InChI |
InChI=1S/C23H23NO4/c1-15(25)24-10-9-18-13-20(12-17-7-8-21(27-2)14-22(17)18)16-5-4-6-19(11-16)23(26)28-3/h4-8,11-14H,9-10H2,1-3H3,(H,24,25)
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| InChIKey |
VADTZBHHWHUOCA-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