Structure

InChI Key COBIOCPXKOZHSU-UHFFFAOYSA-N
Smile CC(=O)O.CN1CCCC(CN2c3ccccc3Sc3ccccc32)C1
InChI
InChI=1S/C19H22N2S.C2H4O2/c1-20-12-6-7-15(13-20)14-21-16-8-2-4-10-18(16)22-19-11-5-3-9-17(19)21;1-2(3)4/h2-5,8-11,15H,6-7,12-14H2,1H3;1H3,(H,3,4)

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H26N2O2S
Molecular Weight 370.52
AlogP 4.63
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 2.0
Polar Surface Area 6.48
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 22.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Mucosa-associated lymphoid tissue lymphoma translocation protein 1 inhibitor PubMed PubMed PubMed

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL1712842
FDA SRS U42703EIIO
SureChEMBL SCHEMBL5063632