General Information of the Compound
| Compound ID |
CP0425251
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| Compound Name |
methyl 4-ethyl-2-[(4-fluorobenzoyl)amino]-5-methylthiophene-3-carboxylate
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| Structure |
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| Formula |
C16H16FNO3S
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| Molecular Weight |
321.373
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| Canonical SMILES |
CCc1c(C)sc(NC(=O)c2ccc(F)cc2)c1C(=O)OC
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| InChI |
InChI=1S/C16H16FNO3S/c1-4-12-9(2)22-15(13(12)16(20)21-3)18-14(19)10-5-7-11(17)8-6-10/h5-8H,4H2,1-3H3,(H,18,19)
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| InChIKey |
HWTZWOQJVQJVKN-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