General Information of the Compound
Compound ID
CP0357218
Compound Name
7-(pyrrolidine-1-carbonyl)pyrrolo[1,2-a]quinoxalin-4(5H)-one
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Structure
Formula
C16H15N3O2
Molecular Weight
281.315
Canonical SMILES
O=C(N1CCCC1)c1ccc2c(c1)[nH]c(=O)c1cccn21
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InChI
InChI=1S/C16H15N3O2/c20-15-14-4-3-9-19(14)13-6-5-11(10-12(13)17-15)16(21)18-7-1-2-8-18/h3-6,9-10H,1-2,7-8H2,(H,17,20)
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InChIKey
QPNABAMQTYQTKY-UHFFFAOYSA-N
Physicochemical Property
logP
2.0168
Rotatable Bonds
1
Heavy Atom Count
21
Polar Areas
57.58
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
21

"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: 45273804
ChEMBL ID
CHEMBL557411
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 = 280 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 23 nM