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TCMDC-135020
FEATURES
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NAMES
  • TCMDC-135020
SMILES
O=C(Nc1ccc(N2CCCN(Cc3cccc(F)c3)CC2)cc1)c1ccc(F)cc1.O=C(O)C(F)(F)F
InChI
InChI=1S/C25H25F2N3O.C2HF3O2/c26-21-7-5-20(6-8-21)25(31)28-23-9-11-24(12-10-23)30-14-2-13-29(15-16-30)18-19-3-1-4-22(27)17-19;3-2(4,5)1(6)7/h1,3-12,17H,2,13-16,18H2,(H,28,31);(H,6,7)
MOLECULAR FORMULA
C27H26F5N3O3
CROSS REFERENCES
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TCMDC-135020

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 535.19
AlogP 5.56
HBond donors 2
HBond acceptors 6
Atoms 64
Contains toxicophore Yes
Contains PAINS Yes
Commercially available Unknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by TCMDC-135020.