Structure

InChI Key ZBIAKUMOEKILTF-UHFFFAOYSA-N
Smile Cc1cccc(C)c1NC(=O)CN1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChI
InChI=1S/C30H35F2N3O/c1-22-5-3-6-23(2)30(22)33-29(36)21-35-19-17-34(18-20-35)16-4-7-28(24-8-12-26(31)13-9-24)25-10-14-27(32)15-11-25/h3,5-6,8-15,28H,4,7,16-21H2,1-2H3,(H,33,36)

Physicochemical Descriptors

Property Name Value
Molecular Formula C30H35F2N3O
Molecular Weight 491.63
AlogP 5.75
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 9.0
Polar Surface Area 35.58
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 36.0

Pharmacology

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 93095
ChEMBL CHEMBL92870
DrugBank DB13766
DrugCentral 1580
EPA CompTox DTXSID6045377
FDA SRS J4ZHN3HBTE
PharmGKB PA165818137
PubChem 3926
SureChEMBL SCHEMBL79037
ZINC ZINC000022034381