Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UKNOWN
UNII: JE3F6WUN31

Structure

InChI Key DLVXFZWSPCOWSN-CQSZACIVSA-N
Smile CNc1ccc(-c2ccc3cc(OC[C@H](O)CF)ccc3n2)cn1
InChI
InChI=1S/C18H18FN3O2/c1-20-18-7-3-13(10-21-18)17-5-2-12-8-15(4-6-16(12)22-17)24-11-14(23)9-19/h2-8,10,14,23H,9,11H2,1H3,(H,20,21)/t14-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H18FN3O2
Molecular Weight 327.36
AlogP 3.05
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 67.27
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 24.0

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL4650352
FDA SRS JE3F6WUN31