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

1018689 - Overview - Compound Synopsis

Synonyms
IBACITABINEIbacitabine
Molecular Formula
C9H12IN3O4
InChI
InChI=1S/C9H12IN3O4/c10-4-2-13(9(16)12-8(4)11)7-1-5(15)6(3-14)17-7/h2,5-7,14-15H,1,3H2,(H2,11,12,16)/t5-,6+,7+/m0/s1
Smiles
Nc1nc(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1I
Cross References
UniChem1202071
canSAR1018689
ChEMBLCHEMBL2104340
Commercially Available
Yes


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 352.987253864-0.92924729No


Compounds with the same scaffold


Image of compound ID: 1018689
Murko Scaffold Family: 620 compoundsClick here to open a new canSAR search with these compounds

Maximum number shown here is 12