TCMDC-134761
FEATURES
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NAMES
  • TCMDC-134761
SMILES
Cc1cc(N[C@@H](CC(C)C)C(=O)NCCOc2ccccc2)nc(NCCOc2ccccc2)n1.O=C(O)C(F)(F)F
InChI
InChI=1S/C27H35N5O3.C2HF3O2/c1-20(2)18-24(26(33)28-14-16-34-22-10-6-4-7-11-22)31-25-19-21(3)30-27(32-25)29-15-17-35-23-12-8-5-9-13-23;3-2(4,5)1(6)7/h4-13,19-20,24H,14-18H2,1-3H3,(H,28,33)(H2,29,30,31,32);(H,6,7)/t24-;/m0./s1
MOLECULAR FORMULA
C29H36F3N5O5
CROSS REFERENCES
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TCMDC-134761
Compound Synopsis
OVERVIEW
PROPERTIES
Molecular weight591.27
AlogP4.93
HBond donors4
HBond acceptors10
Atoms78
Contains toxicophoreYes
Contains PAINSNo
Commercially availableUnknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by TCMDC-134761.