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TCMDC-132705
FEATURES
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NAMES
  • TCMDC-132705
SMILES
FC(F)(F)c1ccc2[nH]c(-c3ccc(-c4ccc(CNCc5ccccc5)cc4)cc3)nc2c1.O=C(O)C(F)(F)F
InChI
InChI=1S/C28H22F3N3.C2HF3O2/c29-28(30,31)24-14-15-25-26(16-24)34-27(33-25)23-12-10-22(11-13-23)21-8-6-20(7-9-21)18-32-17-19-4-2-1-3-5-19;3-2(4,5)1(6)7/h1-16,32H,17-18H2,(H,33,34);(H,6,7)
MOLECULAR FORMULA
C30H23F6N3O2
CROSS REFERENCES
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TCMDC-132705

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 571.17
AlogP 7.84
HBond donors 3
HBond acceptors 5
Atoms 64
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-132705.