Title: 2-(4-Chlorophenyl)-2-oxoethyl 4-benzamidobenzoate derivatives, a novel class of SENP1 inhibitors: Virtual screening, synthesis and biological evaluation.
Chemical Name:
2-([5-(4-Methylphenyl)-4h-1,2,4-triazol-3-yl]sulfanyl)acetic acid
CAS Number:
132895-42-2
Molecular Formula:
C11H11N3O2S
Molecular Weight:
249.2889
MDL Number:
MFCD01190087
SMILES:
OC(=O)CSc1nnc([nH]1)c1ccc(cc1)C
NSC Number:
625811
Properties
Complexity:
269
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Rotatable Bond Count:
4
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Literature
Title: 2-(4-Chlorophenyl)-2-oxoethyl 4-benzamidobenzoate derivatives, a novel class of SENP1 inhibitors: Virtual screening, synthesis and biological evaluation.