General Information of the Compound
Compound ID
CP0214881
Compound Name
1-(4-chlorobenzoyl)-2,3,9,9a-tetrahydro-1H-benzo[de][1,7]naphthyridin-7(8H)-one
    Show/Hide
Structure
Formula
C18H15ClN2O2
Molecular Weight
326.783
Canonical SMILES
Clc1ccc(cc1)C(=O)N1CCc2cccc3C(=O)NCC1c23
    Show/Hide
InChI
InChI=1S/C18H15ClN2O2/c19-13-6-4-12(5-7-13)18(23)21-9-8-11-2-1-3-14-16(11)15(21)10-20-17(14)22/h1-7,15H,8-10H2,(H,20,22)
    Show/Hide
InChIKey
SOWZVPVKEVDPCF-UHFFFAOYSA-N
Physicochemical Property
logP
2.823
Rotatable Bonds
1
Heavy Atom Count
23
Polar Areas
49.41
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 24772712
SID: 49694716
ChEMBL ID
CHEMBL611049
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: PT00839, Poly [ADP-ribose] polymerase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa Homo sapiens (Human)  1
1
EC50 = 260 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 7 nM