General Information of the Compound
| Compound ID |
CP0531513
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| Compound Name |
5-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-(4-oxidopyrazin-4-ium-2-yl)-11-oxa-3,4-diazatricyclo[6.2.1.02,6]undeca-2(6),4-diene
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| Formula |
C18H20N6O2S
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| Molecular Weight |
384.465
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| Canonical SMILES |
CC(C)(C)c1nnc(s1)-c1nn(c2C3CCC(Cc12)O3)-c1c[n+]([O-])ccn1
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| InChI |
InChI=1S/C18H20N6O2S/c1-18(2,3)17-21-20-16(27-17)14-11-8-10-4-5-12(26-10)15(11)24(22-14)13-9-23(25)7-6-19-13/h6-7,9-10,12H,4-5,8H2,1-3H3
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| InChIKey |
INYYXSDNOHZGSL-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