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LSM-39145

PropertiesImageOccurences in reactions
MNX_IDMNXM530076Image of MNXM530076
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC31H33F3N4O4
charge0
mass582.24539
referencechebi:127588
InChIKeyLBJGAAXAEUJMCP-IZVMNLJQSA-N
InChIInChI=1S/C31H33F3N4O4/c1-20-17-38(21(2)19-39)29(40)26-15-23(10-9-22-7-5-4-6-8-22)16-35-28(26)42-27(20)18-37(3)30(41)36-25-13-11-24(12-14-25)31(32,33)34/h4-16,20-21,27,39H,17-19H2,1-3H3,(H,36,41)/t20-,21-,27-/m0/s1
SMILESC[C@H]1CN([C@@H](C)CO)C(=O)c2cc(C=Cc3ccccc3)cnc2O[C@H]1CN(C)C(=O)Nc1ccc(C(F)(F)F)cc1
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
CHEBI:127588
chebi:127588
LSM-39145