General Information of the Compound
Compound ID
CP0415310
Compound Name
N-[4-(1,3-oxazol-5-yl)phenyl]-6-(1,3-thiazol-5-yl)quinazolin-4-amine
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Structure
Formula
C20H13N5OS
Molecular Weight
371.425
Canonical SMILES
N(c1ccc(cc1)-c1cnco1)c1ncnc2ccc(cc12)-c1cncs1
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InChI
InChI=1S/C20H13N5OS/c1-4-15(5-2-13(1)18-8-21-11-26-18)25-20-16-7-14(19-9-22-12-27-19)3-6-17(16)23-10-24-20/h1-12H,(H,23,24,25)
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InChIKey
IDGSKYUWGRYWPT-UHFFFAOYSA-N
Physicochemical Property
logP
5.1519
Rotatable Bonds
4
Heavy Atom Count
27
Polar Areas
76.73
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
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: 118736905
ChEMBL ID
CHEMBL3426085
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 = 13 nM
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