General Information of the Compound
Compound ID
CP0079137
Compound Name
N-cyclopropyl-9,10-dioxoanthracene-2-sulfonamide
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Structure
Formula
C17H13NO4S
Molecular Weight
327.361
Canonical SMILES
O=C1c2ccccc2C(=O)c2cc(ccc12)S(=O)(=O)NC1CC1
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InChI
InChI=1S/C17H13NO4S/c19-16-12-3-1-2-4-13(12)17(20)15-9-11(7-8-14(15)16)23(21,22)18-10-5-6-10/h1-4,7-10,18H,5-6H2
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InChIKey
IAAXICRLUBVQIL-UHFFFAOYSA-N
Physicochemical Property
logP
1.9027
Rotatable Bonds
3
Heavy Atom Count
23
Polar Areas
80.31
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
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: 145990890
ChEMBL ID
CHEMBL4286825
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: PT03940, Poly(ADP-ribose) glycohydrolase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa Homo sapiens (Human)  1
1
EC50 = 22000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 EC50 = 13000 nM