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TCMDC-141492
FEATURES
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NAMES
  • TCMDC-141492
SMILES
CC(C)c1ccc(OCC(O)CN(CCN2CCOCC2)C(=O)Nc2ccc(Br)cc2)cc1.O=C(O)C(F)(F)F
InChI
InChI=1S/C25H34BrN3O4.C2HF3O2/c1-19(2)20-3-9-24(10-4-20)33-18-23(30)17-29(12-11-28-13-15-32-16-14-28)25(31)27-22-7-5-21(26)6-8-22;3-2(4,5)1(6)7/h3-10,19,23,30H,11-18H2,1-2H3,(H,27,31);(H,6,7)
MOLECULAR FORMULA
C27H35BrF3N3O6
CROSS REFERENCES
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TCMDC-141492

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 633.17
AlogP 4.81
HBond donors 3
HBond acceptors 9
Atoms 75
Contains toxicophore Yes
Contains PAINS No
Commercially available Unknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by TCMDC-141492.