General Information of the Compound
Compound ID
CP0001355
Compound Name
1,2,3,8-tetrahydro-benzo[a]pyrrolo[3,4-c]carbazole-1,3-dione
    Show/Hide
Structure
Formula
C18H10N2O2
Molecular Weight
286.29
Canonical SMILES
O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1ccccc21
    Show/Hide
InChI
InChI=1S/C18H10N2O2/c21-17-14-9-5-1-2-6-10(9)16-13(15(14)18(22)20-17)11-7-3-4-8-12(11)19-16/h1-8,19H,(H,20,21,22)
    Show/Hide
InChIKey
IUWAGZUDXHNNFN-UHFFFAOYSA-N
Physicochemical Property
logP
3.3579
Rotatable Bonds
0
Heavy Atom Count
22
Polar Areas
61.96
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
22

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 11161961
SID: 16241324
ChEMBL ID
CHEMBL421087
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