General Information of the Compound
Compound ID
CP0547308
Compound Name
4-benzoyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
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Structure
Formula
C23H16N2O2S
Molecular Weight
384.46
Canonical SMILES
O=C(Nc1nc(cs1)-c1ccccc1)c1ccc(cc1)C(=O)c1ccccc1
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InChI
InChI=1S/C23H16N2O2S/c26-21(17-9-5-2-6-10-17)18-11-13-19(14-12-18)22(27)25-23-24-20(15-28-23)16-7-3-1-4-8-16/h1-15H,(H,24,25,27)
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InChIKey
ARPJLXJZGILMIN-UHFFFAOYSA-N
Physicochemical Property
logP
5.2934
Rotatable Bonds
5
Heavy Atom Count
28
Polar Areas
59.06
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
28

"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: 2318924
ChEMBL ID
CHEMBL4643747
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 = 4700 nM
   TI
   LI
   LO
   TS
CL000962 NCI-H2009 Homo sapiens (Human)  1
1
IC50 = 14900 nM
   TI
   LI
   LO
   TS