General Information of the Compound
| Compound ID |
CP0401701
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| Compound Name |
N-[2-[7-[4-[8-(2-acetamidoethyl)naphthalen-2-yl]oxybutoxy]naphthalen-1-yl]ethyl]furan-2-carboxamide
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| Structure |
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| Formula |
C35H36N2O5
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| Molecular Weight |
564.682
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| Canonical SMILES |
CC(=O)NCCc1cccc2ccc(OCCCCOc3ccc4cccc(CCNC(=O)c5ccco5)c4c3)cc12
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| InChI |
InChI=1S/C35H36N2O5/c1-25(38)36-18-16-28-9-4-7-26-12-14-30(23-32(26)28)40-20-2-3-21-41-31-15-13-27-8-5-10-29(33(27)24-31)17-19-37-35(39)34-11-6-22-42-34/h4-15,22-24H,2-3,16-21H2,1H3,(H,36,38)(H,37,39)
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| InChIKey |
JPSYHUKTMCNWPA-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