General Information of the Compound
| Compound ID |
CP0407039
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| Compound Name |
N-[2-[7-[4-[8-(2-acetamidoethyl)naphthalen-2-yl]oxybutoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]acetamide
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| Structure |
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| Formula |
C32H40N2O4
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| Molecular Weight |
516.682
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| Canonical SMILES |
CC(=O)NCCC1CCCc2ccc(OCCCCOc3ccc4cccc(CCNC(C)=O)c4c3)cc12
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| InChI |
InChI=1S/C32H40N2O4/c1-23(35)33-17-15-27-9-5-7-25-11-13-29(21-31(25)27)37-19-3-4-20-38-30-14-12-26-8-6-10-28(32(26)22-30)16-18-34-24(2)36/h5,7,9,11-14,21-22,28H,3-4,6,8,10,15-20H2,1-2H3,(H,33,35)(H,34,36)
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| InChIKey |
DNGCHGMDDOPAPX-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