AZD5305   Click here for help

GtoPdb Ligand ID: 11526

Synonyms: AZD-5305 | example 4 [WO2021013735]
Compound class: Synthetic organic
Comment: AZD5305 is a novel PARP1-selective inhibitor that was developed as an oncology therapeutic [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 94.22
Molecular weight 406.21
XLogP 1.62
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CNC(=O)c1ccc(cn1)N1CCN(CC1)Cc1cnc2c(c1)[nH]c(=O)c(c2)CC
Isomeric SMILES CNC(=O)c1ccc(cn1)N1CCN(CC1)Cc1cnc2c(c1)[nH]c(=O)c(c2)CC
InChI InChI=1S/C22H26N6O2/c1-3-16-11-19-20(26-21(16)29)10-15(12-24-19)14-27-6-8-28(9-7-27)17-4-5-18(25-13-17)22(30)23-2/h4-5,10-13H,3,6-9,14H2,1-2H3,(H,23,30)(H,26,29)
InChI Key WQAVGRAETZEADU-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Synonyms Click here for help
AZD-5305 | example 4 [WO2021013735]
Database Links Click here for help
GtoPdb PubChem SID 441604898
PubChem CID 155586901
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