TCMDC-140553
FEATURES
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NAMES
  • TCMDC-140553
SMILES
CC(C)CNCc1ccc(-c2cccc(CN(CCN(C)C)C(=O)CCC3CCCC3)c2)cc1.O=C(O)C(F)(F)F
InChI
InChI=1S/C30H45N3O.C2HF3O2/c1-24(2)21-31-22-26-12-15-28(16-13-26)29-11-7-10-27(20-29)23-33(19-18-32(3)4)30(34)17-14-25-8-5-6-9-25;3-2(4,5)1(6)7/h7,10-13,15-16,20,24-25,31H,5-6,8-9,14,17-19,21-23H2,1-4H3;(H,6,7)
MOLECULAR FORMULA
C32H46F3N3O3
CROSS REFERENCES
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TCMDC-140553
Compound Synopsis
OVERVIEW
PROPERTIES
Molecular weight577.35
AlogP6.59
HBond donors2
HBond acceptors6
Atoms87
Contains toxicophoreYes
Contains PAINSNo
Commercially availableUnknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by TCMDC-140553.