1,1'-[1,4-phenylenebis(methylene)]bis[1,4,8,11-tetraazacyclotetradecane]copper Heptahydrate (7H2O)
FEATURES
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NAMES
  • 1,1'-[1,4-phenylenebis(methylene)]bis[1,4,8,11-tetraazacyclotetradecane]copper Heptahydrate (7H2O)
SMILES
CC(=O)O[Cu]123(OC(C)=O)N4CCCN1CC[N+]2(Cc1ccc(C[N+]25CCCN6CCN7CCCN(CC2)[Cu]765(OC(C)=O)OC(C)=O)cc1)CCCN3CC4
InChI
InChI=1S/C28H48N8.4C2H4O2.2Cu/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36;4*1-2(3)4;;/h5-8H,1-4,9-26H2;4*1H3,(H,3,4);;/q-6;;;;;2*+6/p-4
MOLECULAR FORMULA
C36H60Cu2N8O8+2
CROSS REFERENCES
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1,1'-[1,4-phenylenebis(methylene)]bis[1,4,8,11-tetraazacyclotetradecane]copper Heptahydrate (7H2O)
Compound Synopsis
OVERVIEW
PROPERTIES
Molecular weight858.31
AlogP1.48
HBond donors0
HBond acceptors16
Atoms114
Contains toxicophoreYes
Contains PAINSNo
Commercially availableUnknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by 1,1'-[1,4-phenylenebis(methylene)]bis[1,4,8,11-tetraazacyclotetradecane]copper Heptahydrate (7H2O).