General Information of the Compound
| Compound ID |
CP0534087
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| Compound Name |
N-(1-bicyclo[1.1.1]pentanyl)-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 |
C18H19N5O3
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| Molecular Weight |
353.382
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| Canonical SMILES |
[O-][n+]1ccnc(c1)-n1nc(C(=O)NC23CC(C2)C3)c2CC3CCC(O3)c12
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| InChI |
InChI=1S/C18H19N5O3/c24-17(20-18-6-10(7-18)8-18)15-12-5-11-1-2-13(26-11)16(12)23(21-15)14-9-22(25)4-3-19-14/h3-4,9-11,13H,1-2,5-8H2,(H,20,24)
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| InChIKey |
RGCTUECVSKBGTR-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