General Information of the Compound
Compound ID
CP0528439
Compound Name
9-Hydroxy-1H-pyrido[3'4':4,5]pyrrolo[2,3-a]pyrrolo[3,4-c]carbazole-5,7-(6H,12H)-dione
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Structure
Formula
C19H10N4O3
Molecular Weight
342.314
Canonical SMILES
Oc1ccc2[nH]c3c4[nH]c5ccncc5c4c4C(=O)NC(=O)c4c3c2c1
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InChI
InChI=1S/C19H10N4O3/c24-7-1-2-10-8(5-7)12-14-15(19(26)23-18(14)25)13-9-6-20-4-3-11(9)22-17(13)16(12)21-10/h1-6,21-22,24H,(H,23,25,26)
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InChIKey
VBQLCCRSWVCEOW-UHFFFAOYSA-N
Physicochemical Property
logP
2.9398
Rotatable Bonds
0
Heavy Atom Count
26
Polar Areas
110.87
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
4
Complexity
26

"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: 44576358
ChEMBL ID
CHEMBL493391
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
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Cell Viability or Cytotoxicity Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000266 L1210 Mus musculus (Mouse)  1
1
IC50 = 80700 nM
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