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

751890 - Overview - Compound Synopsis

Synonyms
ZZB
Molecular Formula
C19H22BFN6O8P-
InChI
InChI=1S/C19H22BFN6O8P/c1-2-23-12-4-10-9(3-11(12)21)5-31-20(10)34-15-13(6-32-36(28,29)30)33-19(16(15)35-20)27-8-26-14-17(22)24-7-25-18(14)27/h3-4,7-8,13,15-16,19,23H,2,5-6H2,1H3,(H2,22,24,25)(H2,28,29,30)/q-1/t13-,15-,16-,19-,20+/m1/s1
Smiles
CCNc1cc2c(cc1F)CO[B@-]21O[C@@H]2[C@@H](COP(=O)(O)O)O[C@@H](n3cnc4c(N)ncnc43)[C@@H]2O1
Cross References
UniChem1038636
canSAR751890
ChEMBLCHEMBL1237011
PDBe (Protein Data Bank Europe)ZZB
Commercially Available
Unknown


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 523.131930493910.146451458No