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

750998 - Overview - Compound Synopsis

Synonyms
AK5
Molecular Formula
C21H20BrN5O3S
InChI
InChI=1S/C21H20BrN5O3S/c1-30-16-8-7-13(20(29)26-14-5-3-2-4-6-14)11-15(16)27-17(28)9-10-31-21-18(22)19(23)24-12-25-21/h2-8,11-12H,9-10H2,1H3,(H,26,29)(H,27,28)(H2,23,24,25)
Smiles
COc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)CCSc1ncnc(N)c1Br
Cross References
UniChem642792
canSAR750998
PDBe (Protein Data Bank Europe)AK5
ChEMBLCHEMBL1230922
Commercially Available
Unknown


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 501.04702264.20314851No


Compounds with the same scaffold


Image of compound ID: 750998
Murko Scaffold Family: 1 compoundsClick here to open a new canSAR search with these compounds

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