General Information of the Compound
| Compound ID |
CP0043110
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| Compound Name |
(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-chlorophenyl)pyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C18H22ClN3O2
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| Molecular Weight |
347.846
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| Canonical SMILES |
CC(C)(C)c1cc(NC(=O)[C@@H]2CCCN2c2ccc(Cl)cc2)no1
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| InChI |
InChI=1S/C18H22ClN3O2/c1-18(2,3)15-11-16(21-24-15)20-17(23)14-5-4-10-22(14)13-8-6-12(19)7-9-13/h6-9,11,14H,4-5,10H2,1-3H3,(H,20,21,23)/t14-/m0/s1
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| InChIKey |
BAUZVWBSZFLVIL-AWEZNQCLSA-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