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

646571 - Overview - Compound Synopsis

Synonyms
66A
Molecular Formula
C27H29N5O
InChI
InChI=1S/C27H29N5O/c28-26-25-24(21-8-4-9-23(14-21)33-17-19-6-2-1-3-7-19)16-32(27(25)30-18-29-26)22-12-20(13-22)15-31-10-5-11-31/h1-4,6-9,14,16,18,20,22H,5,10-13,15,17H2,(H2,28,29,30)/t20-,22+
Smiles
Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2[C@H]1C[C@@H](CN2CCC2)C1
Cross References
UniChem808045
canSAR646571
ChEMBLCHEMBL1614712
PDBe (Protein Data Bank Europe)66A
BindingDB50157879
Commercially Available
Unknown


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 439.2372105484.91632662No


Compounds with the same scaffold


Image of compound ID: 646571
Murko Scaffold Family: 2 compoundsClick here to open a new canSAR search with these compounds

Maximum number shown here is 12