General Information of the Compound
| Compound ID |
CP0463790
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| Compound Name |
N-[2-(11-chloro-6,7-dihydro-5H-indolo[2,1-a][2]benzazepin-13-yl)ethyl]acetamide
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| Structure |
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| Formula |
C21H21ClN2O
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| Molecular Weight |
352.865
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| Canonical SMILES |
CC(=O)NCCc1c2-c3ccccc3CCCn2c2ccc(Cl)cc12
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| InChI |
InChI=1S/C21H21ClN2O/c1-14(25)23-11-10-18-19-13-16(22)8-9-20(19)24-12-4-6-15-5-2-3-7-17(15)21(18)24/h2-3,5,7-9,13H,4,6,10-12H2,1H3,(H,23,25)
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| InChIKey |
GIFNVPVMIDLSAU-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