PAT-1251

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: Y3HMF6G24B

Structure
InChI Key ODGXXYXJORZPHE-ZIAGYGMSSA-N
Smile NCc1cc(Oc2cccc(C(=O)N3C[C@@H](O)[C@H](F)C3)c2)nc(C(F)(F)F)c1
InChI
InChI=1S/C18H17F4N3O3/c19-13-8-25(9-14(13)26)17(27)11-2-1-3-12(6-11)28-16-5-10(7-23)4-15(24-16)18(20,21)22/h1-6,13-14,26H,7-9,23H2/t13-,14-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H17F4N3O3
Molecular Weight 399.34
AlogP 2.51
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 88.68
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 28.0

Cross References

Resources Reference
ChEMBL CHEMBL4116649
FDA SRS Y3HMF6G24B
SureChEMBL SCHEMBL18072268
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