Ligand id: 6764

Name: CCG-100602

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 49.41
Molecular weight 478.09
XLogP 6.33
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Evelyn CR, Bell JL, Ryu JG, Wade SM, Kocab A, Harzdorf NL, Hollis Showalter HD, Neubig RR, Larsen SD. (2010)
Design, synthesis and prostate cancer cell-based studies of analogs of the Rho/MKL1 transcriptional pathway inhibitor, CCG-1423.
Bioorg. Med. Chem. Lett., 20 (2): 665-72. [PMID:19963382]