General Information of the Compound
Compound ID
CP0489209
Compound Name
N-cyclobutyl-6-(1,3-thiazol-5-yl)quinazolin-4-amine
    Show/Hide
Structure
Formula
C15H14N4S
Molecular Weight
282.372
Canonical SMILES
C1CC(C1)Nc1ncnc2ccc(cc12)-c1cncs1
    Show/Hide
InChI
InChI=1S/C15H14N4S/c1-2-11(3-1)19-15-12-6-10(14-7-16-9-20-14)4-5-13(12)17-8-18-15/h4-9,11H,1-3H2,(H,17,18,19)
    Show/Hide
InChIKey
VDOCAIOXRHMIFP-UHFFFAOYSA-N
Physicochemical Property
logP
3.7177
Rotatable Bonds
3
Heavy Atom Count
20
Polar Areas
50.7
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
20

"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: 118736912
ChEMBL ID
CHEMBL3426092
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: PT03554, ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL001013 CHO CGE Cricetulus griseus (Chinese hamster)  1
1
IC50 = 31 nM
   TI
   LI
   LO
   TS