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TCMDC-135013
FEATURES
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NAMES
  • TCMDC-135013
SMILES
CN(Cc1cccc(F)c1)C1CCCN(c2cc(NC(=O)c3ccccc3)ccn2)C1.O=C(O)C(F)(F)F
InChI
InChI=1S/C25H27FN4O.C2HF3O2/c1-29(17-19-7-5-10-21(26)15-19)23-11-6-14-30(18-23)24-16-22(12-13-27-24)28-25(31)20-8-3-2-4-9-20;3-2(4,5)1(6)7/h2-5,7-10,12-13,15-16,23H,6,11,14,17-18H2,1H3,(H,27,28,31);(H,6,7)
MOLECULAR FORMULA
C27H28F4N4O3
CROSS REFERENCES
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TCMDC-135013

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 532.21
AlogP 5.21
HBond donors 2
HBond acceptors 7
Atoms 66
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-135013.