TCMDC-141058
FEATURES
Loading...
NAMES
  • TCMDC-141058
SMILES
COc1ccc2nccc([C@@H](O)CN3CCC(NCc4ccc5c(c4)NC(=O)CS5)CC3)c2c1.O=C(O)C(=O)O
InChI
InChI=1S/C26H30N4O3S.C2H2O4/c1-33-19-3-4-22-21(13-19)20(6-9-27-22)24(31)15-30-10-7-18(8-11-30)28-14-17-2-5-25-23(12-17)29-26(32)16-34-25;3-1(4)2(5)6/h2-6,9,12-13,18,24,28,31H,7-8,10-11,14-16H2,1H3,(H,29,32);(H,3,4)(H,5,6)/t24-;/m0./s1
MOLECULAR FORMULA
C28H32N4O7S
CROSS REFERENCES
Loading...
TCMDC-141058
Compound Synopsis
OVERVIEW
PROPERTIES
Molecular weight568.20
AlogP2.73
HBond donors5
HBond acceptors11
Atoms72
Contains toxicophoreNo
Contains PAINSNo
Commercially availableUnknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by TCMDC-141058.