General Information of the Compound
Compound ID
CP0532069
Compound Name
4-benzoyl-N-(1,3-thiazol-2-yl)benzamide
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Structure
Formula
C17H12N2O2S
Molecular Weight
308.362
Canonical SMILES
O=C(Nc1nccs1)c1ccc(cc1)C(=O)c1ccccc1
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InChI
InChI=1S/C17H12N2O2S/c20-15(12-4-2-1-3-5-12)13-6-8-14(9-7-13)16(21)19-17-18-10-11-22-17/h1-11H,(H,18,19,21)
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InChIKey
SSAOWRVGWUAING-UHFFFAOYSA-N
Physicochemical Property
logP
3.6264
Rotatable Bonds
4
Heavy Atom Count
22
Polar Areas
59.06
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
22

"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: 883261
ChEMBL ID
CHEMBL4638890
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: PT01587, Stearoyl-CoA desaturase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000401 NCI-H2122 Homo sapiens (Human)  1
1
IC50 = 33000 nM
   TI
   LI
   LO
   TS
CL000962 NCI-H2009 Homo sapiens (Human)  1
1
IC50 > 50000 nM
   TI
   LI
   LO
   TS