General Information of the Compound
| Compound ID |
CP0423250
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| Compound Name |
2-tert-Butyl-5-(3-(3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl)propoxy)pyrimidine
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| Structure |
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| Formula |
C19H20ClFN4O2
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| Molecular Weight |
390.846
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| Canonical SMILES |
CC(C)(C)c1ncc(OCCCc2nc(no2)-c2ccc(F)cc2Cl)cn1
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| InChI |
InChI=1S/C19H20ClFN4O2/c1-19(2,3)18-22-10-13(11-23-18)26-8-4-5-16-24-17(25-27-16)14-7-6-12(21)9-15(14)20/h6-7,9-11H,4-5,8H2,1-3H3
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| InChIKey |
GASFAQIEJVLYMT-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: PT02190, Cannabinoid receptor 1
Protein ID: PT01298, Cannabinoid receptor 1
Protein ID: PT00834, Cannabinoid receptor 2
Protein ID: PT02333, Cannabinoid receptor 2