General Information of the Compound
Compound ID
CP0577688
Compound Name
2-[4-[6-(hydroxyamino)-6-oxohexoxy]phenyl]indazole-7-carboxamide
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Structure
Formula
C20H22N4O4
Molecular Weight
382.42
Canonical SMILES
NC(=O)c1cccc2cn(nc12)-c1ccc(OCCCCCC(=O)NO)cc1
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InChI
InChI=1S/C20H22N4O4/c21-20(26)17-6-4-5-14-13-24(22-19(14)17)15-8-10-16(11-9-15)28-12-3-1-2-7-18(25)23-27/h4-6,8-11,13,27H,1-3,7,12H2,(H2,21,26)(H,23,25)
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InChIKey
SDKDBWKZDAKINH-UHFFFAOYSA-N
Physicochemical Property
logP
2.569
Rotatable Bonds
9
Heavy Atom Count
28
Polar Areas
119.47
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
6
Complexity
28

"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: 168275201
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 = 285 nM
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