General Information of the Compound
Compound ID
CP0394710
Compound Name
4,5-dimethylpyrrolo[3,4-c]carbazole-1,3(2H,6H)-dione
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Structure
Formula
C16H12N2O2
Molecular Weight
264.284
Canonical SMILES
Cc1c2C(=O)NC(=O)c2c2c3ccccc3[nH]c2c1C
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InChI
InChI=1S/C16H12N2O2/c1-7-8(2)14-12(9-5-3-4-6-10(9)17-14)13-11(7)15(19)18-16(13)20/h3-6,17H,1-2H3,(H,18,19,20)
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InChIKey
NUDJDUPVGVFDQO-UHFFFAOYSA-N
Physicochemical Property
logP
2.82154
Rotatable Bonds
0
Heavy Atom Count
20
Polar Areas
61.96
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
20

"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: 9943215
SID: 14917523
ChEMBL ID
CHEMBL380809
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 = 700 nM
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