General Information of the Compound
| Compound ID |
CP0499685
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| Compound Name |
N-[4-[2-(4-propan-2-ylphenoxy)-1,3-thiazol-5-yl]but-3-yn-2-yl]acetamide
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| Structure |
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| Formula |
C18H20N2O2S
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| Molecular Weight |
328.437
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| Canonical SMILES |
CC(NC(C)=O)C#Cc1cnc(Oc2ccc(cc2)C(C)C)s1
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| InChI |
InChI=1S/C18H20N2O2S/c1-12(2)15-6-8-16(9-7-15)22-18-19-11-17(23-18)10-5-13(3)20-14(4)21/h6-9,11-13H,1-4H3,(H,20,21)
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| InChIKey |
CRFCLEJUCYEXTF-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