compound 9 [PMID: 1992149]

Ligand id: 2984

Name: compound 9 [PMID: 1992149]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 9
Topological polar surface area 121.36
Molecular weight 440.19
XLogP 2.77
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Roth BD, Bocan TM, Blankley CJ, Chucholowski AW, Creger PL, Creswell MW, Ferguson E, Newton RS, O'Brien P, Picard JA. (1991)
Relationship between tissue selectivity and lipophilicity for inhibitors of HMG-CoA reductase.
J. Med. Chem., 34 (1): 463-6. [PMID:1992149]
2. Sliskovic DR, Blankley CJ, Krause BR, Newton RS, Picard JA, Roark WH, Roth BD, Sekerke C, Shaw MK, Stanfield RL. (1992)
Inhibitors of cholesterol biosynthesis. 6. trans-6-[2-(2-N-heteroaryl-3,5-disubstituted- pyrazol-4-yl)ethyl/ethenyl]tetrahydro-4-hydroxy-2H-pyran-2-ones.
J. Med. Chem., 35 (11): 2095-103. [PMID:1597859]