General Information of the Compound
Compound ID
CP0544935
Compound Name
2-(4-Azido-phenyl)-8-methoxy-3H-quinazolin-4-one
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Synonyms
2-(4-Azido-phenyl)-8-methoxy-3H-quinazolin-4-one
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Structure
Formula
C15H11N5O2
Molecular Weight
293.286
Canonical SMILES
COc1cccc2c1nc([nH]c2=O)-c1ccc(cc1)N=[N+]=[N-]
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InChI
InChI=1S/C15H11N5O2/c1-22-12-4-2-3-11-13(12)17-14(18-15(11)21)9-5-7-10(8-6-9)19-20-16/h2-8H,1H3,(H,17,18,21)
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InChIKey
BLVUCZJFMHXSJA-UHFFFAOYSA-N
Physicochemical Property
logP
3.5405
Rotatable Bonds
3
Heavy Atom Count
22
Polar Areas
103.74
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
22

"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: 135547083
SID: 15868541
ChEMBL ID
CHEMBL147359
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: PT01646, Poly [ADP-ribose] polymerase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000266 L1210 Mus musculus (Mouse)  1
1
IC50 = 1930 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 2-(4-Azido-phenyl)-8-methoxy-3H-quinazolin-4-one )
Drug Name 2-(4-Azido-phenyl)-8-methoxy-3H-quinazolin-4-one
Target(s)
Poly [ADP-ribose] polymerase 1 (PARP1)
Inhibitor