General Information of the Compound
Compound ID
CP0185307
Compound Name
4-hydroxybenzo[a]pyrrolo[3,4-c]carbazole-1,3(2H,8H)-dione
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Structure
Formula
C18H10N2O3
Molecular Weight
302.289
Canonical SMILES
Oc1cccc2c3[nH]c4ccccc4c3c3C(=O)NC(=O)c3c12
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InChI
InChI=1S/C18H10N2O3/c21-11-7-3-5-9-12(11)14-15(18(23)20-17(14)22)13-8-4-1-2-6-10(8)19-16(9)13/h1-7,19,21H,(H,20,22,23)
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InChIKey
LZLABXPSAGHOTR-UHFFFAOYSA-N
Physicochemical Property
logP
3.0635
Rotatable Bonds
0
Heavy Atom Count
23
Polar Areas
82.19
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Complexity
23

"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: 17759312
SID: 29220306
ChEMBL ID
CHEMBL388434
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 = 904 nM
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Cell Viability or Cytotoxicity Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000067 HCT 116 Homo sapiens (Human)  1
1
IC50 = 17500 nM
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