Structure

InChI Key ROAIXOJGRFKICW-UHFFFAOYSA-N
Smiles C1N2CN3CN1CN(C2)C3.O=C(O)CNC(=O)c1ccccc1
InChI
InChI=1S/C9H9NO3.C6H12N4/c11-8(12)6-10-9(13)7-4-2-1-3-5-7;1-7-2-9-4-8(1)5-10(3-7)6-9/h1-5H,6H2,(H,10,13)(H,11,12);1-6H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H21N5O3
Molecular Weight 319.37
AlogP -1.02
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 0.0
Polar Surface Area 12.96
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 10.0

Bioactivity

Mechanism of Action Action Reference
DNA inhibitor INHIBITOR PubMed PubMed DailyMed

Cross References

Resources Reference
ChEBI 6825
ChEMBL CHEMBL1201104
FDA SRS M329791L57
KEGG C01586
PubChem 21945
SureChEMBL SCHEMBL3029
ZINC ZINC00097685