General Information of the Compound
| Compound ID |
CP0453476
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| Compound Name |
N-[2-(11-methoxy-6,7-dihydro-5H-indolo[2,1-a][2]benzazepin-13-yl)ethyl]acetamide
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| Structure |
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| Formula |
C22H24N2O2
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| Molecular Weight |
348.446
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| Canonical SMILES |
COc1ccc2n3CCCc4ccccc4-c3c(CCNC(C)=O)c2c1
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| InChI |
InChI=1S/C22H24N2O2/c1-15(25)23-12-11-19-20-14-17(26-2)9-10-21(20)24-13-5-7-16-6-3-4-8-18(16)22(19)24/h3-4,6,8-10,14H,5,7,11-13H2,1-2H3,(H,23,25)
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| InChIKey |
YUAFEPINEYDDKA-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