General Information of the Compound
Compound ID
CP0500668
Compound Name
6H-pyrrolo[3,4-c]carbazole-1,3-dione
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Synonyms
CHEMBL370869
Pyrrolo[3,4-c]carbazole-1,3(2H,6H)-dione
SCHEMBL5381581
pyrrolo[3,4-c]carbazole-1,3(2H,6H)-dione
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Structure
Formula
C14H8N2O2
Molecular Weight
236.23
Canonical SMILES
O=C1NC(=O)c2c1ccc1[nH]c3ccccc3c21
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InChI
InChI=1S/C14H8N2O2/c17-13-8-5-6-10-11(12(8)14(18)16-13)7-3-1-2-4-9(7)15-10/h1-6,15H,(H,16,17,18)
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InChIKey
AGFYXNWRDSDSRA-UHFFFAOYSA-N
Physicochemical Property
logP
2.2047
Rotatable Bonds
0
Heavy Atom Count
18
Polar Areas
61.96
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
18

"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: 18382004
ChEMBL ID
CHEMBL370869
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 = 10000 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Pyrrolo[3,4-c]carbazole-1,3(2H,6H)-dione )
Drug Name Pyrrolo[3,4-c]carbazole-1,3(2H,6H)-dione
Target(s)
Poly [ADP-ribose] polymerase 1 (PARP1)
Inhibitor