General Information of the Compound
| Compound ID |
CP0372212
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| Compound Name |
[(11R)-11-cyclohexyl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl]-[(3S)-3,4-dimethylpiperazin-1-yl]methanone
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| Structure |
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| Formula |
C23H31N3O2
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| Molecular Weight |
381.52
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| Canonical SMILES |
C[C@H]1CN(CCN1C)C(=O)c1cn2[C@@H](COc3cccc1c23)C1CCCCC1
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| InChI |
InChI=1S/C23H31N3O2/c1-16-13-25(12-11-24(16)2)23(27)19-14-26-20(17-7-4-3-5-8-17)15-28-21-10-6-9-18(19)22(21)26/h6,9-10,14,16-17,20H,3-5,7-8,11-13,15H2,1-2H3/t16-,20-/m0/s1
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| InChIKey |
GQNZJQBYGQAYKX-JXFKEZNVSA-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: PT01298, Cannabinoid receptor 1
Protein ID: PT00834, Cannabinoid receptor 2