General Information of the Compound
| Compound ID |
CP0375514
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| Compound Name |
N-[2-[7-[8-(2-acetamidoethyl)naphthalen-2-yl]naphthalen-1-yl]ethyl]acetamide
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| Structure |
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| Formula |
C28H28N2O2
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| Molecular Weight |
424.544
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| Canonical SMILES |
CC(=O)NCCc1cccc2ccc(cc12)-c1ccc2cccc(CCNC(C)=O)c2c1
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| InChI |
InChI=1S/C28H28N2O2/c1-19(31)29-15-13-23-7-3-5-21-9-11-25(17-27(21)23)26-12-10-22-6-4-8-24(28(22)18-26)14-16-30-20(2)32/h3-12,17-18H,13-16H2,1-2H3,(H,29,31)(H,30,32)
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| InChIKey |
ZTXLDRRVIWDNRF-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