Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 6C9UKZ0CYE

Structure

InChI Key MBKYLPOPYYLTNW-ZDUSSCGKSA-N
Smile CNC(=O)C[C@H]1COc2cc(F)ccc2N1C(=O)c1ccc2c(c1)NC(=O)CO2
InChI
InChI=1S/C20H18FN3O5/c1-22-18(25)8-13-9-28-17-7-12(21)3-4-15(17)24(13)20(27)11-2-5-16-14(6-11)23-19(26)10-29-16/h2-7,13H,8-10H2,1H3,(H,22,25)(H,23,26)/t13-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H18FN3O5
Molecular Weight 399.38
AlogP 1.7
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 96.97
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 29.0

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL3916929
DrugBank DB15418
FDA SRS 6C9UKZ0CYE
Guide to Pharmacology 11281
PDB ECV
PubChem 118599727
SureChEMBL SCHEMBL17363859