TCMDC-132548
FEATURES
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NAMES
  • TCMDC-132548
SMILES
O=C(O)C(F)(F)F.c1cc(-c2ccc(CNCCCN3CCOCC3)cc2)cc(-c2nc3ccccc3[nH]2)c1
InChI
InChI=1S/C27H30N4O.C2HF3O2/c1-2-8-26-25(7-1)29-27(30-26)24-6-3-5-23(19-24)22-11-9-21(10-12-22)20-28-13-4-14-31-15-17-32-18-16-31;3-2(4,5)1(6)7/h1-3,5-12,19,28H,4,13-18,20H2,(H,29,30);(H,6,7)
MOLECULAR FORMULA
C29H31F3N4O3
CROSS REFERENCES
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TCMDC-132548
Compound Synopsis
OVERVIEW
PROPERTIES
Molecular weight540.23
AlogP5.34
HBond donors3
HBond acceptors7
Atoms70
Contains toxicophoreYes
Contains PAINSNo
Commercially availableUnknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by TCMDC-132548.