General Information of the Compound
Compound ID
CP0537746
Compound Name
2-[4-[8-(hydroxyamino)-8-oxooctoxy]phenyl]indazole-7-carboxamide
    Show/Hide
Structure
Formula
C22H26N4O4
Molecular Weight
410.474
Canonical SMILES
NC(=O)c1cccc2cn(nc12)-c1ccc(OCCCCCCCC(=O)NO)cc1
    Show/Hide
InChI
InChI=1S/C22H26N4O4/c23-22(28)19-8-6-7-16-15-26(24-21(16)19)17-10-12-18(13-11-17)30-14-5-3-1-2-4-9-20(27)25-29/h6-8,10-13,15,29H,1-5,9,14H2,(H2,23,28)(H,25,27)
    Show/Hide
InChIKey
SFKPULXMQSKGAS-UHFFFAOYSA-N
Physicochemical Property
logP
3.3492
Rotatable Bonds
11
Heavy Atom Count
30
Polar Areas
119.47
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
6
Complexity
30

"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: 168273233
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 = 245 nM
   TI
   LI
   LO
   TS