LXH254

Search structure
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 15JL80DG6H

Structure
InChI Key UEPXBTCUIIGYCY-UHFFFAOYSA-N
Smile Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cc(OCCO)nc(N2CCOCC2)c1
InChI
InChI=1S/C25H25F3N4O4/c1-16-2-3-19(30-24(34)17-4-5-29-21(12-17)25(26,27)28)15-20(16)18-13-22(32-6-9-35-10-7-32)31-23(14-18)36-11-8-33/h2-5,12-15,33H,6-11H2,1H3,(H,30,34)

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H25F3N4O4
Molecular Weight 502.49
AlogP 3.93
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 7.0
Polar Surface Area 96.81
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 36.0

Cross References

Resources Reference
ChEMBL CHEMBL4583691
FDA SRS 15JL80DG6H
Guide to Pharmacology 10658
PDB K81
SureChEMBL SCHEMBL16094629
CONTENTS