General Information of the Compound
| Compound ID |
CP0400791
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| Compound Name |
2-[7-[4-[8-(2-acetamidoethyl)naphthalen-2-yl]oxybutoxy]naphthalen-1-yl]acetic acid
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| Structure |
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| Formula |
C30H31NO5
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| Molecular Weight |
485.58
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| Canonical SMILES |
CC(=O)NCCc1cccc2ccc(OCCCCOc3ccc4cccc(CC(O)=O)c4c3)cc12
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| InChI |
InChI=1S/C30H31NO5/c1-21(32)31-15-14-24-8-4-6-22-10-12-26(19-28(22)24)35-16-2-3-17-36-27-13-11-23-7-5-9-25(18-30(33)34)29(23)20-27/h4-13,19-20H,2-3,14-18H2,1H3,(H,31,32)(H,33,34)
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| InChIKey |
OOVFIDWYBPNEFX-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