General Information of the Compound
Compound ID
CP0485637
Compound Name
1-(thiazol-2-yl)ethanone O-4-methoxybenzoyl oxime
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Structure
Formula
C13H12N2O3S
Molecular Weight
276.317
Canonical SMILES
COc1ccc(cc1)C(=O)O\N=C(/C)c1nccs1
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InChI
InChI=1S/C13H12N2O3S/c1-9(12-14-7-8-19-12)15-18-13(16)10-3-5-11(17-2)6-4-10/h3-8H,1-2H3/b15-9+
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InChIKey
LZDAJNLKAUTBLD-OQLLNIDSSA-N
Physicochemical Property
logP
2.7327
Rotatable Bonds
4
Heavy Atom Count
19
Polar Areas
60.78
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Complexity
19

"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).

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PubChem ID
CID: 5524574
ChEMBL ID
CHEMBL1092114
Map of Molecular Bioactivity Related to the Compound
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
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT04678, Serine hydrolase RBBP9
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  1
1
IC50 = 9200 nM
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