3D models and important biochemical properties including drug class, logP, and pKa values for over 8,400 pharmaceutical compounds from 1900 to the present.
View biological testing results for low toxicity antineoplastic agents in Symyx Comprehensive Medicinal Chemistry.
CMC helps medicinal chemists, pharmacologists, and molecular modelers validate new pharmacophores, plan combinatorial libraries, develop/corroborate structure-based calculators/predictors, and perform structure-activity relationship (SAR) analyses.
CMC provides:
- 2D and 3D chemical structures
- Biological activity
- Drug class
- pKa
- Measured logP
- Calculated compound-based properties (with latest CMC Finder)
- Generic name
- CAS registry number
- Originating company
- Literature references
Symyx updates CMC annually with compounds identified for the first time in the United States Approved Names (USAN) list.