Structure

InChI Key WPEWQEMJFLWMLV-UHFFFAOYSA-N
Smile N#CC1(c2ccc(NC(=O)c3cccnc3NCc3ccncc3)cc2)CCCC1
InChI
InChI=1S/C24H23N5O/c25-17-24(11-1-2-12-24)19-5-7-20(8-6-19)29-23(30)21-4-3-13-27-22(21)28-16-18-9-14-26-15-10-18/h3-10,13-15H,1-2,11-12,16H2,(H,27,28)(H,29,30)

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H23N5O
Molecular Weight 397.48
AlogP 4.68
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 90.7
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 30.0

Cross References

Resources Reference
ChEMBL CHEMBL3186534
DrugBank DB14765
DrugCentral 5211
FDA SRS 5S371K6132
SureChEMBL SCHEMBL1814966
ZINC ZINC000070466461