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TCMDC-136442
FEATURES
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NAMES
  • TCMDC-136442
SMILES
O=C(NCc1ccc(Cl)cc1)c1ccc(CN2CCCN(Cc3cccc(O)c3)CC2)cc1.O=C(O)C(F)(F)F
InChI
InChI=1S/C27H30ClN3O2.C2HF3O2/c28-25-11-7-21(8-12-25)18-29-27(33)24-9-5-22(6-10-24)19-30-13-2-14-31(16-15-30)20-23-3-1-4-26(32)17-23;3-2(4,5)1(6)7/h1,3-12,17,32H,2,13-16,18-20H2,(H,29,33);(H,6,7)
MOLECULAR FORMULA
C29H31ClF3N3O4
CROSS REFERENCES
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TCMDC-136442

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 577.20
AlogP 5.32
HBond donors 3
HBond acceptors 7
Atoms 71
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-136442.