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TCMDC-134392
FEATURES
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NAMES
  • TCMDC-134392
SMILES
O=C(NCCN1CCCCC1)N1CCCN(c2ncnc3cc(-c4ccccc4)sc23)CC1.O=C(O)C(F)(F)F
InChI
InChI=1S/C25H32N6OS.C2HF3O2/c32-25(26-10-15-29-11-5-2-6-12-29)31-14-7-13-30(16-17-31)24-23-21(27-19-28-24)18-22(33-23)20-8-3-1-4-9-20;3-2(4,5)1(6)7/h1,3-4,8-9,18-19H,2,5-7,10-17H2,(H,26,32);(H,6,7)
MOLECULAR FORMULA
C27H33F3N6O3S
CROSS REFERENCES
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TCMDC-134392

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 578.23
AlogP 4.70
HBond donors 2
HBond acceptors 9
Atoms 73
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-134392.