General Information of the Compound
Compound ID
CP0419452
Compound Name
5-ethyl-4-propylpyrrolo[3,4-c]carbazole-1,3(2H,6H)-dione
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Structure
Formula
C19H18N2O2
Molecular Weight
306.365
Canonical SMILES
CCCc1c2C(=O)NC(=O)c2c2c([nH]c3ccccc23)c1CC
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InChI
InChI=1S/C19H18N2O2/c1-3-7-11-10(4-2)17-14(12-8-5-6-9-13(12)20-17)16-15(11)18(22)21-19(16)23/h5-6,8-9,20H,3-4,7H2,1-2H3,(H,21,22,23)
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InChIKey
CURKOIUXIDRZSI-UHFFFAOYSA-N
Physicochemical Property
logP
3.7196
Rotatable Bonds
3
Heavy Atom Count
23
Polar Areas
61.96
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
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: 44407567
ChEMBL ID
CHEMBL383830
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: PT00839, Poly [ADP-ribose] polymerase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000028 PC-12 Homo sapiens (Human)  1
1
IC50 > 10000 nM
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