General Information of the Compound
| Compound ID |
CP0547775
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| Compound Name |
N-(1-bicyclo[2.2.2]octanyl)-3-(4-oxidopyrazin-4-ium-2-yl)-11-oxa-3,4-diazatricyclo[6.2.1.02,6]undeca-2(6),4-diene-5-carboxamide
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| Formula |
C21H25N5O3
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| Molecular Weight |
395.463
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| Canonical SMILES |
[O-][n+]1ccnc(c1)-n1nc(C(=O)NC23CCC(CC2)CC3)c2CC3CCC(O3)c12
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| InChI |
InChI=1S/C21H25N5O3/c27-20(23-21-6-3-13(4-7-21)5-8-21)18-15-11-14-1-2-16(29-14)19(15)26(24-18)17-12-25(28)10-9-22-17/h9-10,12-14,16H,1-8,11H2,(H,23,27)
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| InChIKey |
JQQCJRADEDHJOH-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: PT01298, Cannabinoid receptor 1
Protein ID: PT00834, Cannabinoid receptor 2