Compound Synopsis
Compound Overview
Bioactivity Data Summary
Protein Affinity Profile
Cellline Sensitivity Profile

862297 - Overview - Compound Synopsis

Synonyms
5EL
Molecular Formula
C28H27N3O3
InChI
InChI=1S/C28H27N3O3/c32-27(30-19-22-10-15-29-16-11-22)23-3-7-26(8-4-23)34-25-5-1-21(2-6-25)9-14-28(33)20-31-17-12-24(28)13-18-31/h1-8,10-11,15-16,24,33H,12-13,17-20H2,(H,30,32)/t28-/m0/s1
Smiles
O=C(NCc1ccncc1)c1ccc(Oc2ccc(C#C[C@]3(O)CN4CCC3CC4)cc2)cc1
Cross References
UniChem1028941
canSAR862297
ChEMBLCHEMBL1738748
PDBe (Protein Data Bank Europe)5EL
BindingDB50418824
Commercially Available
Unknown


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 453.2052417243.61212661Yes


Compounds with the same scaffold


Image of compound ID: 862297
Murko Scaffold Family: 95 compoundsClick here to open a new canSAR search with these compounds

Maximum number shown here is 12