compound_info
Retrieve basic drug/compound data from PubChem including molecular formula, weight, canonical SMILES, IUPAC name, InChIKey, and CID to support medicinal chemistry and docking preparation.
Instructions
Query compound/drug basic info (PubChem). 查询化合物/药物基本信息:分子式、分子量、规范 SMILES、IUPAC 名、InChIKey 与 CID,for medicinal chemistry and docking prep. 用于药物化学、分子对接前的化合物确认。
Input Schema
| Name | Required | Description | Default |
|---|---|---|---|
| name | Yes | ||
| include_synonyms | No |
Output Schema
| Name | Required | Description | Default |
|---|---|---|---|
| result | Yes |