Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 2167OG1EKJ

Structure

InChI Key VRQMAABPASPXMW-UHFFFAOYSA-N
Smile COc1cc(CCc2cc(NC(=O)c3ccc(N4CC(C)NC(C)C4)cc3)n[nH]2)cc(OC)c1
InChI
InChI=1S/C26H33N5O3/c1-17-15-31(16-18(2)27-17)22-9-6-20(7-10-22)26(32)28-25-13-21(29-30-25)8-5-19-11-23(33-3)14-24(12-19)34-4/h6-7,9-14,17-18,27H,5,8,15-16H2,1-4H3,(H2,28,29,30,32)

Physicochemical Descriptors

Property Name Value
Molecular Formula C26H33N5O3
Molecular Weight 463.58
AlogP 3.65
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 8.0
Polar Surface Area 91.51
Molecular species BASE
Aromatic Rings 3.0
Heavy Atoms 34.0

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL3184679
FDA SRS 2167OG1EKJ
PubChem 51039095
SureChEMBL SCHEMBL62926