Structure

InChI Key JTLXCMOFVBXEKD-FOWTUZBSSA-N
Smile C/C(=C(/CCO)SSCC1CCCO1)N(C=O)Cc1cnc(C)nc1N
InChI
InChI=1S/C17H26N4O3S2/c1-12(16(5-6-22)26-25-10-15-4-3-7-24-15)21(11-23)9-14-8-19-13(2)20-17(14)18/h8,11,15,22H,3-7,9-10H2,1-2H3,(H2,18,19,20)/b16-12+

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H26N4O3S2
Molecular Weight 398.55
AlogP 2.5
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 10.0
Polar Surface Area 101.57
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 26.0

Pharmacology

Action Mechanism of Action Reference
None Supplement DailyMed

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 135636
ChEMBL CHEMBL1740659
DrugBank DB08966
DrugCentral 1259
FDA SRS 05J61265PX
PubChem 3002119
SureChEMBL SCHEMBL24002