General Information of the Compound
Compound ID
CP0579796
Compound Name
2-[4-[4-(hydroxyamino)-4-oxobutoxy]phenyl]indazole-7-carboxamide
    Show/Hide
Structure
Formula
C18H18N4O4
Molecular Weight
354.366
Canonical SMILES
NC(=O)c1cccc2cn(nc12)-c1ccc(OCCCC(=O)NO)cc1
    Show/Hide
InChI
InChI=1S/C18H18N4O4/c19-18(24)15-4-1-3-12-11-22(20-17(12)15)13-6-8-14(9-7-13)26-10-2-5-16(23)21-25/h1,3-4,6-9,11,25H,2,5,10H2,(H2,19,24)(H,21,23)
    Show/Hide
InChIKey
DOTPXIISPOLXRL-UHFFFAOYSA-N
Physicochemical Property
logP
1.7888
Rotatable Bonds
7
Heavy Atom Count
26
Polar Areas
119.47
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
6
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 168290999
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
CL000017 HeLa Homo sapiens (Human)  1
1
IC50 = 102 nM
   TI
   LI
   LO
   TS