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TCMDC-132554
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NAMES
  • TCMDC-132554
SMILES
O=C(O)C(F)(F)F.c1cncc(CCNCc2ccc(-c3cccc(-c4nc5ccccc5[nH]4)c3)cc2)c1
InChI
InChI=1S/C27H24N4.C2HF3O2/c1-2-9-26-25(8-1)30-27(31-26)24-7-3-6-23(17-24)22-12-10-21(11-13-22)19-29-16-14-20-5-4-15-28-18-20;3-2(4,5)1(6)7/h1-13,15,17-18,29H,14,16,19H2,(H,30,31);(H,6,7)
MOLECULAR FORMULA
C29H25F3N4O2
CROSS REFERENCES
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TCMDC-132554

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 518.19
AlogP 6.26
HBond donors 3
HBond acceptors 6
Atoms 63
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-132554.