General Information of the Compound
| Compound ID |
CP0547776
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| Compound Name |
5-[3-(2-methylbutan-2-yl)-1,2,4-oxadiazol-5-yl]-3-pyrazin-2-yl-11-oxa-3,4-diazatricyclo[6.2.1.02,6]undeca-2(6),4-diene
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| Structure |
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| Formula |
C19H22N6O2
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| Molecular Weight |
366.425
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| Canonical SMILES |
CCC(C)(C)c1noc(n1)-c1nn(c2C3CCC(Cc12)O3)-c1cnccn1
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| InChI |
InChI=1S/C19H22N6O2/c1-4-19(2,3)18-22-17(27-24-18)15-12-9-11-5-6-13(26-11)16(12)25(23-15)14-10-20-7-8-21-14/h7-8,10-11,13H,4-6,9H2,1-3H3
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| InChIKey |
WJPNCGFMVLYFTD-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