General Information of the Compound
| Compound ID |
CP0374823
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| Compound Name |
N-[4-[2-(6-propan-2-yloxypyridin-3-yl)oxy-1,3-thiazol-5-yl]but-3-yn-2-yl]acetamide
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| Structure |
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| Formula |
C17H19N3O3S
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| Molecular Weight |
345.424
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| Canonical SMILES |
CC(C)Oc1ccc(Oc2ncc(s2)C#CC(C)NC(C)=O)cn1
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| InChI |
InChI=1S/C17H19N3O3S/c1-11(2)22-16-8-6-14(9-18-16)23-17-19-10-15(24-17)7-5-12(3)20-13(4)21/h6,8-12H,1-4H3,(H,20,21)
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| InChIKey |
QPXMQCGKRVCMDA-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