General Information of the Compound
Compound ID
CP0566803
Compound Name
N-(4-fluorophenyl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine
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Structure
Formula
C17H11FN4S
Molecular Weight
322.368
Canonical SMILES
Fc1ccc(Nc2ncnc3ccc(cc23)-c2cncs2)cc1
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InChI
InChI=1S/C17H11FN4S/c18-12-2-4-13(5-3-12)22-17-14-7-11(16-8-19-10-23-16)1-6-15(14)20-9-21-17/h1-10H,(H,20,21,22)
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InChIKey
DZNPBSFQHHTVEI-UHFFFAOYSA-N
Physicochemical Property
logP
4.636
Rotatable Bonds
3
Heavy Atom Count
23
Polar Areas
50.7
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
23

"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: 118736894
ChEMBL ID
CHEMBL3426074
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
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