General Information of the Compound
| Compound ID |
CP0400794
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| Compound Name |
2-[6-[4-[8-(2-acetamidoethyl)naphthalen-2-yl]oxybutoxy]naphthalen-2-yl]propanoic acid
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| Structure |
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| Formula |
C31H33NO5
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| Molecular Weight |
499.607
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| Canonical SMILES |
CC(C(O)=O)c1ccc2cc(OCCCCOc3ccc4cccc(CCNC(C)=O)c4c3)ccc2c1
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| InChI |
InChI=1S/C31H33NO5/c1-21(31(34)35)25-8-9-27-19-28(13-11-26(27)18-25)36-16-3-4-17-37-29-12-10-23-6-5-7-24(30(23)20-29)14-15-32-22(2)33/h5-13,18-21H,3-4,14-17H2,1-2H3,(H,32,33)(H,34,35)
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| InChIKey |
YHLGAKNTVRCWMS-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