TCMDC-138747
FEATURES
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NAMES
  • TCMDC-138747
SMILES
CN(c1ccc2c(c1)nc(NCc1ccc(F)cc1)n2C)c1ccnc(Nc2ccc(CS(C)(=O)=O)cc2)n1.Cl
InChI
InChI=1S/C28H28FN7O2S.ClH/c1-35(26-14-15-30-27(34-26)32-22-10-6-20(7-11-22)18-39(3,37)38)23-12-13-25-24(16-23)33-28(36(25)2)31-17-19-4-8-21(29)9-5-19;/h4-16H,17-18H2,1-3H3,(H,31,33)(H,30,32,34);1H
MOLECULAR FORMULA
C28H29ClFN7O2S
CROSS REFERENCES
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TCMDC-138747
Compound Synopsis
OVERVIEW
PROPERTIES
Molecular weight581.18
AlogP5.59
HBond donors2
HBond acceptors9
Atoms69
Contains toxicophoreNo
Contains PAINSNo
Commercially availableUnknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by TCMDC-138747.