Title: Discovery of Mycobacterium tuberculosis protein tyrosine phosphatase A (MptpA) inhibitors based on natural products and a fragment-based approach.
Journal: Chembiochem : a European journal of chemical biology 20051001
Chemical Name:
3-(2,5-Dimethyl-1H-pyrrol-1-yl)-4-hydroxybenzoic acid
CAS Number:
340315-24-4
Molecular Formula:
C13H13NO3
Molecular Weight:
231.2472
MDL Number:
MFCD02195110
SMILES:
Oc1ccc(cc1n1c(C)ccc1C)C(=O)O
Properties
Complexity:
284
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:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Rotatable Bond Count:
2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
Title: Discovery of Mycobacterium tuberculosis protein tyrosine phosphatase A (MptpA) inhibitors based on natural products and a fragment-based approach.
Journal: Chembiochem : a European journal of chemical biology20051001