General Information of the Compound
Compound ID
CP0476042
Compound Name
2-(2-morpholin-4-yl-1,3-thiazol-4-yl)aniline
    Show/Hide
Structure
Formula
C13H15N3OS
Molecular Weight
261.35
Canonical SMILES
Nc1ccccc1-c1csc(n1)N1CCOCC1
    Show/Hide
InChI
InChI=1S/C13H15N3OS/c14-11-4-2-1-3-10(11)12-9-18-13(15-12)16-5-7-17-8-6-16/h1-4,9H,5-8,14H2
    Show/Hide
InChIKey
QLCPZJPIEQLSPG-UHFFFAOYSA-N
Physicochemical Property
logP
2.2289
Rotatable Bonds
2
Heavy Atom Count
18
Polar Areas
51.38
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
18

"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
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 17399143
ChEMBL ID
CHEMBL3323475
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: PT00894, Androgen receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000141 LNCaP Homo sapiens (Human)  2
1
IC50 = 1380 nM
   TI
   LI
   LO
   TS
2
IC50 = 2030 nM
   TI
   LI
   LO
   TS