TCMDC-137825
FEATURES
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NAMES
  • TCMDC-137825
SMILES
CCCCSc1c(CNCCCCCCNCc2ccc3ccccc3c2SCCCC)ccc2ccccc12.CS(=O)(=O)O
InChI
InChI=1S/C36H48N2S2.CH4O3S/c1-3-5-25-39-35-31(21-19-29-15-9-11-17-33(29)35)27-37-23-13-7-8-14-24-38-28-32-22-20-30-16-10-12-18-34(30)36(32)40-26-6-4-2;1-5(2,3)4/h9-12,15-22,37-38H,3-8,13-14,23-28H2,1-2H3;1H3,(H,2,3,4)
MOLECULAR FORMULA
C37H52N2O3S3
CROSS REFERENCES
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TCMDC-137825
Compound Synopsis
OVERVIEW
PROPERTIES
Molecular weight668.31
AlogP9.72
HBond donors3
HBond acceptors5
Atoms97
Contains toxicophoreYes
Contains PAINSNo
Commercially availableUnknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by TCMDC-137825.