General Information of the Compound
| Compound ID |
CP0469724
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| Compound Name |
N-[2-[3-[3-(hydroxymethyl)phenyl]-7-methoxynaphthalen-1-yl]ethyl]cyclobutanecarboxamide
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| Structure |
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| Formula |
C25H27NO3
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| Molecular Weight |
389.495
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| Canonical SMILES |
COc1ccc2cc(cc(CCNC(=O)C3CCC3)c2c1)-c1cccc(CO)c1
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| InChI |
InChI=1S/C25H27NO3/c1-29-23-9-8-20-13-22(19-7-2-4-17(12-19)16-27)14-21(24(20)15-23)10-11-26-25(28)18-5-3-6-18/h2,4,7-9,12-15,18,27H,3,5-6,10-11,16H2,1H3,(H,26,28)
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| InChIKey |
CIIZALZCWRDKFN-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