Synonyms
Status
Molecule Category Free-form
UNII CI43QFE22O

Structure

InChI Key VQSZIPCGAGVRRP-UHFFFAOYSA-N
Smiles CC(C)n1c(=O)n(C)c2cnc3cc(F)c(-c4ccc(OCCCN5CCCCC5)nc4)cc3c21
InChI
InChI=1S/C27H32FN5O2/c1-18(2)33-26-21-14-20(22(28)15-23(21)29-17-24(26)31(3)27(33)34)19-8-9-25(30-16-19)35-13-7-12-32-10-5-4-6-11-32/h8-9,14-18H,4-7,10-13H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C27H32FN5O2
Molecular Weight 477.58
AlogP 4.93
Hydrogen Bond Acceptor 7.0
Number of Rotational Bond 7.0
Polar Surface Area 65.18
Molecular species BASE
Aromatic Rings 4.0
Heavy Atoms 35.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase Atypical protein kinase group Atypical protein kinase PIKK family
- 0.09 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 0.09 - - -

Cross References

Resources Reference
ChEMBL CHEMBL4594429
FDA SRS CI43QFE22O
Guide to Pharmacology 11277
PubChem 126689157
SureChEMBL SCHEMBL18631972