550242 logo
TCMDC-137845
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
  • TCMDC-137845
SMILES
CCCCOc1cc(OC)c2ccccc2c1CCNCCCCNCCc1c(OCCCC)cc(OC)c2ccccc12.CS(=O)(=O)O
InChI
InChI=1S/C38H52N2O4.CH4O3S/c1-5-7-25-43-37-27-35(41-3)31-17-11-9-15-29(31)33(37)19-23-39-21-13-14-22-40-24-20-34-30-16-10-12-18-32(30)36(42-4)28-38(34)44-26-8-6-2;1-5(2,3)4/h9-12,15-18,27-28,39-40H,5-8,13-14,19-26H2,1-4H3;1H3,(H,2,3,4)
MOLECULAR FORMULA
C39H56N2O7S
CROSS REFERENCES
550242 logo

TCMDC-137845

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 696.38
AlogP 7.62
HBond donors 3
HBond acceptors 9
Atoms 105
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-137845.