General Information of the Compound
| Compound ID |
CP0401703
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| Compound Name |
N-[2-[7-[4-[8-[2-(cyclopropanecarbonylamino)ethyl]naphthalen-2-yl]oxybutoxy]naphthalen-1-yl]ethyl]cyclopropanecarboxamide
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| Structure |
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| Formula |
C36H40N2O4
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| Molecular Weight |
564.726
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| Canonical SMILES |
O=C(NCCc1cccc2ccc(OCCCCOc3ccc4cccc(CCNC(=O)C5CC5)c4c3)cc12)C1CC1
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| InChI |
InChI=1S/C36H40N2O4/c39-35(29-9-10-29)37-19-17-27-7-3-5-25-13-15-31(23-33(25)27)41-21-1-2-22-42-32-16-14-26-6-4-8-28(34(26)24-32)18-20-38-36(40)30-11-12-30/h3-8,13-16,23-24,29-30H,1-2,9-12,17-22H2,(H,37,39)(H,38,40)
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| InChIKey |
KKWICWHNAORVMJ-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