General Information of the Compound
Compound ID
CP0419455
Compound Name
4-methylpyrrolo[3,4-c]carbazole-1,3(2H,6H)-dione
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Synonyms
4-methylpyrrolo[3,4-c]carbazole-1,3(2H,6H)-dione
CHEMBL380940
SCHEMBL5828673
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Structure
Formula
C15H10N2O2
Molecular Weight
250.257
Canonical SMILES
Cc1cc2[nH]c3ccccc3c2c2C(=O)NC(=O)c12
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InChI
InChI=1S/C15H10N2O2/c1-7-6-10-12(8-4-2-3-5-9(8)16-10)13-11(7)14(18)17-15(13)19/h2-6,16H,1H3,(H,17,18,19)
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InChIKey
DSCSSQAANWCYAP-UHFFFAOYSA-N
Physicochemical Property
logP
2.51312
Rotatable Bonds
0
Heavy Atom Count
19
Polar Areas
61.96
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
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).

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PubChem ID
CID: 44407566
ChEMBL ID
CHEMBL380940
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 = 2000 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 4-methylpyrrolo[3,4-c]carbazole-1,3(2H,6H)-dione )
Drug Name 4-methylpyrrolo[3,4-c]carbazole-1,3(2H,6H)-dione
Target(s)
Poly [ADP-ribose] polymerase 1 (PARP1)
Inhibitor