General Information of the Compound
Compound ID
CP0826879
Compound Name
11-methylbenzo[a]pyrrolo[3,4-c]carbazole-1,3,4,7(2H,8H)-tetraone
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Structure
Formula
C19H10N2O4
Molecular Weight
330.299
Canonical SMILES
Cc1ccc2[nH]c3c4c(=O)ccc(=O)c4c4c(=O)[nH]c(=O)c4c3c2c1
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InChI
InChI=1S/C19H10N2O4/c1-7-2-3-9-8(6-7)12-15-16(19(25)21-18(15)24)13-10(22)4-5-11(23)14(13)17(12)20-9/h2-6,20H,1H3,(H,21,24,25)
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InChIKey
WIBCFAKLNZBYFD-UHFFFAOYSA-N
Physicochemical Property
logP
1.58042
Rotatable Bonds
0
Heavy Atom Count
25
Polar Areas
99.86
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
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).

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PubChem ID
CID: 17759425
SID: 29220427
ChEMBL ID
CHEMBL388037
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 = 107 nM
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