Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: MFT24BX55I

Structure

InChI Key IEAKXXNRGSLYTQ-DEOSSOPVSA-N
Smile C#CCN(c1nc(-c2cc(C)c(OC)cc2Cl)c(C)s1)[C@@H](CC1CC1)c1ccc(C)c(F)c1
InChI
InChI=1S/C27H28ClFN2OS/c1-6-11-31(24(13-19-8-9-19)20-10-7-16(2)23(29)14-20)27-30-26(18(4)33-27)21-12-17(3)25(32-5)15-22(21)28/h1,7,10,12,14-15,19,24H,8-9,11,13H2,2-5H3/t24-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C27H28ClFN2OS
Molecular Weight 483.05
AlogP 7.52
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 8.0
Polar Surface Area 25.36
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 33.0

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 34969
ChEMBL CHEMBL291657
FDA SRS MFT24BX55I
Guide to Pharmacology 3533
KEGG C14129
PubChem 5282340
SureChEMBL SCHEMBL5453205
ZINC ZINC000001550164