EPETIRIMOD ESYLATE

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: H92K6N217F

Structure
InChI Key WGQREWBBEJMLOV-UHFFFAOYSA-N
Smile CC(C)Cn1cnc2c(N)nc3cccnc3c21.CCS(=O)(=O)O.O
InChI
InChI=1S/C13H15N5.C2H6O3S.H2O/c1-8(2)6-18-7-16-11-12(18)10-9(17-13(11)14)4-3-5-15-10;1-2-6(3,4)5;/h3-5,7-8H,6H2,1-2H3,(H2,14,17);2H2,1H3,(H,3,4,5);1H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H23N5O4S
Molecular Weight 369.45
AlogP 2.22
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 69.62
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 18.0

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL2103808
FDA SRS H92K6N217F
PubChem 11653565
SureChEMBL SCHEMBL4178322
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