General Information of the Compound
Compound ID
CP0389468
Compound Name
4-[[8-methoxy-6-(1,3-thiazol-5-yl)quinazolin-4-yl]amino]benzamide
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Structure
Formula
C19H15N5O2S
Molecular Weight
377.429
Canonical SMILES
COc1cc(cc2c(Nc3ccc(cc3)C(N)=O)ncnc12)-c1cncs1
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InChI
InChI=1S/C19H15N5O2S/c1-26-15-7-12(16-8-21-10-27-16)6-14-17(15)22-9-23-19(14)24-13-4-2-11(3-5-13)18(20)25/h2-10H,1H3,(H2,20,25)(H,22,23,24)
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InChIKey
LOJCSTRHSDHULY-UHFFFAOYSA-N
Physicochemical Property
logP
3.6044
Rotatable Bonds
5
Heavy Atom Count
27
Polar Areas
103.02
Hydrogen Bond Donor Count
2
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: 118736873
ChEMBL ID
CHEMBL3426053
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 = 4 nM
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