General Information of the Compound
Compound ID
CP0489210
Compound Name
N-propan-2-yl-6-(1,3-thiazol-5-yl)quinazolin-4-amine
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Structure
Formula
C14H14N4S
Molecular Weight
270.361
Canonical SMILES
CC(C)Nc1ncnc2ccc(cc12)-c1cncs1
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InChI
InChI=1S/C14H14N4S/c1-9(2)18-14-11-5-10(13-6-15-8-19-13)3-4-12(11)16-7-17-14/h3-9H,1-2H3,(H,16,17,18)
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InChIKey
ONOQEENCEVCQAR-UHFFFAOYSA-N
Physicochemical Property
logP
3.5736
Rotatable Bonds
3
Heavy Atom Count
19
Polar Areas
50.7
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
19

"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: 118736868
ChEMBL ID
CHEMBL3426048
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 = 75 nM
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