General Information of the Compound
| Compound ID |
CP0267142
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| Compound Name |
N-[2-(2-methoxybenzo[b][1]benzazepin-11-yl)ethyl]propanamide
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| Structure |
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| Formula |
C20H22N2O2
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| Molecular Weight |
322.408
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| Canonical SMILES |
CCC(=O)NCCN1c2ccccc2C=Cc2ccc(OC)cc12
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| InChI |
InChI=1S/C20H22N2O2/c1-3-20(23)21-12-13-22-18-7-5-4-6-15(18)8-9-16-10-11-17(24-2)14-19(16)22/h4-11,14H,3,12-13H2,1-2H3,(H,21,23)
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| InChIKey |
DWVGJIJFGSESQJ-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