General Information of the Compound
| Compound ID |
CP0466822
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| Compound Name |
N-[[1-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)cyclohexyl]methyl]butanamide
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| Structure |
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| Formula |
C22H30N2O
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| Molecular Weight |
338.495
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| Canonical SMILES |
CCCC(=O)NCC1(CCCCC1)c1cn2CCCc3cccc1c23
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| InChI |
InChI=1S/C22H30N2O/c1-2-8-20(25)23-16-22(12-4-3-5-13-22)19-15-24-14-7-10-17-9-6-11-18(19)21(17)24/h6,9,11,15H,2-5,7-8,10,12-14,16H2,1H3,(H,23,25)
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| InChIKey |
IQUVSIBCTHRJMK-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