Title: Structure-activity relationships of anthraquinone derivatives derived from bromaminic acid as inhibitors of ectonucleoside triphosphate diphosphohydrolases (E-NTPDases).
Chemical Name:
1-Amino-4-bromo-2-methylanthracene-9,10-dione
CAS Number:
81-50-5
Molecular Formula:
C15H10BrNO2
Molecular Weight:
316.1494
MDL Number:
MFCD00001221
SMILES:
Brc1cc(C)c(c2c1C(=O)c1ccccc1C2=O)N
NSC Number:
401160
Properties
Complexity:
411
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Rotatable Bond Count:
0
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
Literature
Title: Structure-activity relationships of anthraquinone derivatives derived from bromaminic acid as inhibitors of ectonucleoside triphosphate diphosphohydrolases (E-NTPDases).