General Information of the Compound
Compound ID
CP0436458
Compound Name
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
C19H10N4O2
Molecular Weight
326.315
Canonical SMILES
O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1[nH]c3ccncc3c21
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InChI
InChI=1S/C19H10N4O2/c24-18-14-12-8-3-1-2-4-10(8)21-16(12)17-13(15(14)19(25)23-18)9-7-20-6-5-11(9)22-17/h1-7,21-22H,(H,23,24,25)
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InChIKey
UTIDOAABUFDNQS-UHFFFAOYSA-N
Physicochemical Property
logP
3.2342
Rotatable Bonds
0
Heavy Atom Count
25
Polar Areas
90.64
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
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: 44576333
ChEMBL ID
CHEMBL495052
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 = 5000 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 = 600 nM
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