General Information of the Compound
Compound ID
CP0641259
Compound Name
11-hydroxybenzo[a]pyrrolo[3,4-c]carbazole-1,3,4,7(2H,8H)-tetraone
    Show/Hide
Structure
Formula
C18H8N2O5
Molecular Weight
332.271
Canonical SMILES
O=c1ccc(=O)c2c1c1[nH]c3ccc(O)cc3c1c1c(=O)[nH]c(=O)c21
    Show/Hide
InChI
InChI=1S/C18H8N2O5/c21-6-1-2-8-7(5-6)11-14-15(18(25)20-17(14)24)12-9(22)3-4-10(23)13(12)16(11)19-8/h1-5,19,21H,(H,20,24,25)
    Show/Hide
InChIKey
DCKZKNXQWSTPNW-UHFFFAOYSA-N
Physicochemical Property
logP
0.9776
Rotatable Bonds
0
Heavy Atom Count
25
Polar Areas
120.09
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
Complexity
25

"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: 17759426
SID: 29220428
ChEMBL ID
CHEMBL243931
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: PT00865, Serine/threonine-protein kinase Chk1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 27 nM
   TI
   LI
   LO
   TS
Cell Viability or Cytotoxicity Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000067 HCT 116 Homo sapiens (Human)  1
1
IC50 = 15400 nM
   TI
   LI
   LO
   TS