General Information of the Compound
| Compound ID |
CP0407040
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| Compound Name |
methyl 2-[6-[4-[8-(2-acetamidoethyl)naphthalen-2-yl]oxybutoxy]naphthalen-2-yl]propanoate
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| Structure |
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| Formula |
C32H35NO5
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| Molecular Weight |
513.634
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| Canonical SMILES |
COC(=O)C(C)c1ccc2cc(OCCCCOc3ccc4cccc(CCNC(C)=O)c4c3)ccc2c1
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| InChI |
InChI=1S/C32H35NO5/c1-22(32(35)36-3)26-9-10-28-20-29(14-12-27(28)19-26)37-17-4-5-18-38-30-13-11-24-7-6-8-25(31(24)21-30)15-16-33-23(2)34/h6-14,19-22H,4-5,15-18H2,1-3H3,(H,33,34)
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| InChIKey |
HKMUTUPQTDJJAR-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