Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 60BN6CDL0K

Structure

InChI Key DZBKAUMYTFPJIS-HSZRJFAPSA-N
Smile CCN(C)C(=O)c1ccc(-c2ccc3c(n2)Oc2ccccc2[C@H]3C(C)(C)C(=O)Nc2nncs2)cc1F
InChI
InChI=1S/C28H26FN5O3S/c1-5-34(4)25(35)17-11-10-16(14-20(17)29)21-13-12-19-23(18-8-6-7-9-22(18)37-24(19)31-21)28(2,3)26(36)32-27-33-30-15-38-27/h6-15,23H,5H2,1-4H3,(H,32,33,36)/t23-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C28H26FN5O3S
Molecular Weight 531.61
AlogP 5.73
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 97.31
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 38.0

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 1008116-73-1
ChEMBL CHEMBL1911274
FDA SRS 60BN6CDL0K
PubChem 53359074
ZINC ZINC000073196578