General Information of the Compound
| Compound ID |
CP0528073
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| Compound Name |
5-(3,5-dimethyl-piperidine-1-sulfonyl)-3-methyl-benzofuran-2-carboxylic acid 4-methyl-benzylamide
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| Structure |
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| Formula |
C25H30N2O4S
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| Molecular Weight |
454.592
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| Canonical SMILES |
CC1CC(C)CN(C1)S(=O)(=O)c1ccc2oc(C(=O)NCc3ccc(C)cc3)c(C)c2c1
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| InChI |
InChI=1S/C25H30N2O4S/c1-16-5-7-20(8-6-16)13-26-25(28)24-19(4)22-12-21(9-10-23(22)31-24)32(29,30)27-14-17(2)11-18(3)15-27/h5-10,12,17-18H,11,13-15H2,1-4H3,(H,26,28)
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| InChIKey |
KKUTUPAEQHOUFN-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