General Information of the Compound
Compound ID
CP0575168
Compound Name
N-(6-methoxybenzo [d]thiazol-2-yl)-2-(4-(pyridin-4-yl)phenyl)acetamide
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Structure
Formula
C21H17N3O2S
Molecular Weight
375.453
Canonical SMILES
COc1ccc2nc(NC(=O)Cc3ccc(cc3)-c3ccncc3)sc2c1
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InChI
InChI=1S/C21H17N3O2S/c1-26-17-6-7-18-19(13-17)27-21(23-18)24-20(25)12-14-2-4-15(5-3-14)16-8-10-22-11-9-16/h2-11,13H,12H2,1H3,(H,23,24,25)
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InChIKey
IVXHZSZBXWENCY-UHFFFAOYSA-N
Physicochemical Property
logP
4.5481
Rotatable Bonds
5
Heavy Atom Count
27
Polar Areas
64.11
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
27

"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: 46927440
SID: 99433207
ChEMBL ID
CHEMBL4537314
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: PT04787, Protein-serine O-palmitoleoyltransferase porcupine
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000633 TM3 Mus musculus (Mouse)  1
1
IC50 = 2 nM
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