compound 28 [PMID: 16460935]

Ligand id: 8619

Name: compound 28 [PMID: 16460935]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 163.75
Molecular weight 555.95
XLogP 4.48
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Subasinghe NL, Travins JM, Ali F, Huang H, Ballentine SK, Marug├ín JJ, Khalil E, Hufnagel HR, Bone RF, DesJarlais RL et al.. (2006)
A novel series of arylsulfonylthiophene-2-carboxamidine inhibitors of the complement component C1s.
Bioorg. Med. Chem. Lett., 16 (8): 2200-4. [PMID:16460935]