1016632 logo
55A
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
  • 55A
SMILES
CCC(C)CN(CC(O)C(Cc1ccccc1)NC(=O)C(CC(C)C)NC(C)=O)S(=O)(=O)c1ccc2ncsc2c1
InChI
InChI=1S/C30H42N4O5S2/c1-6-21(4)17-34(41(38,39)24-12-13-25-29(16-24)40-19-31-25)18-28(36)26(15-23-10-8-7-9-11-23)33-30(37)27(14-20(2)3)32-22(5)35/h7-13,16,19-21,26-28,36H,6,14-15,17-18H2,1-5H3,(H,32,35)(H,33,37)/t21-,26-,27-,28+/m0/s1
MOLECULAR FORMULA
C30H42N4O5S2
CROSS REFERENCES
  • UniChem: 27265421
  • canSAR: 1016632
  • PDBe (Protein Data Bank Europe): 55A
1016632 logo

55A

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 602.26
AlogP 3.97
HBond donors 3
HBond acceptors 9
Atoms 83
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 55A.