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TCMDC-133030
FEATURES
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NAMES
  • TCMDC-133030
SMILES
O=C(O)C(F)(F)F.OCCN1CCN(Cc2ccc(-c3ccc(-c4nc5cc(F)ccc5[nH]4)cc3)cc2)CC1
InChI
InChI=1S/C26H27FN4O.C2HF3O2/c27-23-9-10-24-25(17-23)29-26(28-24)22-7-5-21(6-8-22)20-3-1-19(2-4-20)18-31-13-11-30(12-14-31)15-16-32;3-2(4,5)1(6)7/h1-10,17,32H,11-16,18H2,(H,28,29);(H,6,7)
MOLECULAR FORMULA
C28H28F4N4O3
CROSS REFERENCES
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TCMDC-133030

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 544.21
AlogP 4.78
HBond donors 3
HBond acceptors 7
Atoms 67
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-133030.