General Information of the Compound
Compound ID
CP0070636
Compound Name
8-((cyclopropylamino)methyl)pyrrolo[1,2-a]quinoxalin-4(5H)-one
    Show/Hide
Structure
Formula
C15H15N3O
Molecular Weight
253.305
Canonical SMILES
O=c1[nH]c2ccc(CNC3CC3)cc2n2cccc12
    Show/Hide
InChI
InChI=1S/C15H15N3O/c19-15-13-2-1-7-18(13)14-8-10(3-6-12(14)17-15)9-16-11-4-5-11/h1-3,6-8,11,16H,4-5,9H2,(H,17,19)
    Show/Hide
InChIKey
LHTGYYKFWBHLFV-UHFFFAOYSA-N
Physicochemical Property
logP
2.0328
Rotatable Bonds
3
Heavy Atom Count
19
Polar Areas
49.3
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
19

"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: 25156280
SID: 57250318
ChEMBL ID
CHEMBL549596
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
CL000337 C-4-I Homo sapiens (Human)  1
1
EC50 = 25 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 31 nM