General Information of the Compound
| Compound ID |
CP0469064
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| Compound Name |
N-[2-[7-[4-[4-[4-(hydroxymethyl)phenyl]phenoxy]butoxy]naphthalen-1-yl]ethyl]acetamide
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| Structure |
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| Formula |
C31H33NO4
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| Molecular Weight |
483.608
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| Canonical SMILES |
CC(=O)NCCc1cccc2ccc(OCCCCOc3ccc(cc3)-c3ccc(CO)cc3)cc12
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| InChI |
InChI=1S/C31H33NO4/c1-23(34)32-18-17-28-6-4-5-27-13-16-30(21-31(27)28)36-20-3-2-19-35-29-14-11-26(12-15-29)25-9-7-24(22-33)8-10-25/h4-16,21,33H,2-3,17-20,22H2,1H3,(H,32,34)
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| InChIKey |
VDBKGGONHKGNTE-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