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TCMDC-132735
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NAMES
  • TCMDC-132735
SMILES
CN1CCC(NCc2cccc(-c3cccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)c3)c2)CC1.O=C(O)C(F)(F)F
InChI
InChI=1S/C27H27F3N4.C2HF3O2/c1-34-12-10-23(11-13-34)31-17-18-4-2-5-19(14-18)20-6-3-7-21(15-20)26-32-24-9-8-22(27(28,29)30)16-25(24)33-26;3-2(4,5)1(6)7/h2-9,14-16,23,31H,10-13,17H2,1H3,(H,32,33);(H,6,7)
MOLECULAR FORMULA
C29H28F6N4O2
CROSS REFERENCES
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TCMDC-132735

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 578.21
AlogP 6.73
HBond donors 3
HBond acceptors 6
Atoms 69
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-132735.