Structure

InChI Key ZESSXQLDESEKGC-UHFFFAOYSA-N
Smile CS(=O)(=O)O.N=C(N)Nc1ccc(C(=O)Oc2ccc3cc(C(=N)N)ccc3c2)cc1
InChI
InChI=1S/C19H17N5O2.CH4O3S/c20-17(21)14-2-1-13-10-16(8-5-12(13)9-14)26-18(25)11-3-6-15(7-4-11)24-19(22)23;1-5(2,3)4/h1-10H,(H3,20,21)(H4,22,23,24);1H3,(H,2,3,4)

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H25N5O8S2
Molecular Weight 539.59
AlogP 2.65
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 4.0
Polar Surface Area 138.07
Molecular species BASE
Aromatic Rings 3.0
Heavy Atoms 26.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Severe Acute Respiratory Syndrome 3 D045169 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL3989553
FDA SRS 1D2T74921W
SureChEMBL SCHEMBL1568755