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TCMDC-135204
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NAMES
  • TCMDC-135204
SMILES
CC(C)Nc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNC(C)(C)c2cccc(C(F)(F)F)c2)cc(N2CCCCS2(=O)=O)c1.O=CO
InChI
InChI=1S/C34H43F3N4O4S.CH2O2/c1-23(2)39-28-18-25(19-29(21-28)41-15-8-9-16-46(41,44)45)32(43)40-30(17-24-11-6-5-7-12-24)31(42)22-38-33(3,4)26-13-10-14-27(20-26)34(35,36)37;2-1-3/h5-7,10-14,18-21,23,30-31,38-39,42H,8-9,15-17,22H2,1-4H3,(H,40,43);1H,(H,2,3)/t30-,31+;/m0./s1
MOLECULAR FORMULA
C35H45F3N4O6S
CROSS REFERENCES
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TCMDC-135204

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 706.30
AlogP 5.38
HBond donors 5
HBond acceptors 10
Atoms 94
Contains toxicophore No
Contains PAINS No
Commercially available Unknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by TCMDC-135204.