Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 11978226XX

Structure

InChI Key QSKQVZWVLOIIEV-NSHDSACASA-N
Smile C[C@H]1CNCCCN1S(=O)(=O)c1cccc2cncc(F)c12
InChI
InChI=1S/C15H18FN3O2S/c1-11-8-17-6-3-7-19(11)22(20,21)14-5-2-4-12-9-18-10-13(16)15(12)14/h2,4-5,9-11,17H,3,6-8H2,1H3/t11-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H18FN3O2S
Molecular Weight 323.39
AlogP 1.75
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 62.3
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 22.0

Pharmacology

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 136046
ChEMBL CHEMBL3426621
DrugBank DB13165
DrugCentral 4938
FDA SRS 11978226XX
Guide to Pharmacology 10423
PubChem 9863672
SureChEMBL SCHEMBL31542
ZINC ZINC000003940873