General Information of the Compound
| Compound ID |
CP0461236
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| Compound Name |
N-[2-[7-[2-[8-(2-acetamidoethyl)naphthalen-2-yl]oxyethoxy]naphthalen-1-yl]ethyl]acetamide
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| Structure |
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| Formula |
C30H32N2O4
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| Molecular Weight |
484.596
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| Canonical SMILES |
CC(=O)NCCc1cccc2ccc(OCCOc3ccc4cccc(CCNC(C)=O)c4c3)cc12
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| InChI |
InChI=1S/C30H32N2O4/c1-21(33)31-15-13-25-7-3-5-23-9-11-27(19-29(23)25)35-17-18-36-28-12-10-24-6-4-8-26(30(24)20-28)14-16-32-22(2)34/h3-12,19-20H,13-18H2,1-2H3,(H,31,33)(H,32,34)
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| InChIKey |
GOVADGSFUNYZTE-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