General Information of the Compound
Compound ID
CP0419449
Compound Name
7,8-dihydrocyclopenta[e]isoindole-1,3(2H,6H)-dione
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Structure
Formula
C11H9NO2
Molecular Weight
187.198
Canonical SMILES
O=C1NC(=O)c2c3CCCc3ccc12
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InChI
InChI=1S/C11H9NO2/c13-10-8-5-4-6-2-1-3-7(6)9(8)11(14)12-10/h4-5H,1-3H2,(H,12,13,14)
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InChIKey
ZHYOCDAGFHASIF-UHFFFAOYSA-N
Physicochemical Property
logP
1.0589
Rotatable Bonds
0
Heavy Atom Count
14
Polar Areas
46.17
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
14

"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: 22918383
ChEMBL ID
CHEMBL381280
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
CL000028 PC-12 Homo sapiens (Human)  1
1
IC50 = 2220 nM
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