KP-1461

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Synonyms
Status
Molecule Category Free-form
UNII 3PEN569TJP

Structure

InChI Key SZWIAFVYPPMZML-YNEHKIRRSA-N
Smiles CCCCCCCOC(=O)NC1=NC(=O)N([C@H]2C[C@H](O)[C@@H](CO)O2)CN1
InChI
InChI=1S/C16H28N4O6/c1-2-3-4-5-6-7-25-16(24)19-14-17-10-20(15(23)18-14)13-8-11(22)12(9-21)26-13/h11-13,21-22H,2-10H2,1H3,(H2,17,18,19,23,24)/t11-,12+,13+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H28N4O6
Molecular Weight 372.42
AlogP 0.49
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 8.0
Polar Surface Area 132.72
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 26.0

Pharmacology

Mechanism of Action Action Reference
DNA disrupting agent DISRUPTING AGENT Other PubMed PMC

Cross References

Resources Reference
ChEMBL CHEMBL4297297
DrugBank DB05644
FDA SRS 3PEN569TJP
PubChem 51003457
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