General Information of the Compound
| Compound ID |
CP0849140
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| Compound Name |
N-{3-[2-(4-isopropoxy-phenoxy)-thiazol-4-yl]-1-methyl-prop-2-ynyl}-acetamide
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| Structure |
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| Formula |
C18H20N2O3S
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| Molecular Weight |
344.436
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| Canonical SMILES |
CC(=O)NC(C)C#Cc1csc(Oc2ccc(OC(C)C)cc2)n1
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| InChI |
InChI=1S/C18H20N2O3S/c1-12(2)22-16-7-9-17(10-8-16)23-18-20-15(11-24-18)6-5-13(3)19-14(4)21/h7-13H,1-4H3,(H,19,21)
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| InChIKey |
OXQNTJKMKLZDCN-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: PT01270, Acetyl-CoA carboxylase 1
Protein ID: PT01119, Acetyl-CoA carboxylase 2