Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 708TLB8J3Y

Structure

InChI Key IDRGFNPZDVBSSE-UHFFFAOYSA-N
Smile C=CC(=O)Nc1cccc(-c2cccc3cnc(Nc4ccc(N5CCN(CCO)CC5)c(F)c4F)nc23)c1
InChI
InChI=1S/C29H28F2N6O2/c1-2-25(39)33-21-7-3-5-19(17-21)22-8-4-6-20-18-32-29(35-28(20)22)34-23-9-10-24(27(31)26(23)30)37-13-11-36(12-14-37)15-16-38/h2-10,17-18,38H,1,11-16H2,(H,33,39)(H,32,34,35)

Physicochemical Descriptors

Property Name Value
Molecular Formula C29H28F2N6O2
Molecular Weight 530.58
AlogP 4.56
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 8.0
Polar Surface Area 93.62
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 39.0

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL4297486
FDA SRS 708TLB8J3Y
Guide to Pharmacology 9863
SureChEMBL SCHEMBL16514522
ZINC ZINC000514250913