| 名称 | 内容 |
|---|---|
| kegg编号 | C01937 |
| pubchemid | 5042 |
| name | Methotrexate |
| formula | C20H22N8O5 |
| structure |  |
| Isomeric_Smiles | C1=CC=C2C(=C1)C(=CC(=O)N2)CC(C(=O)O)NC(=O)C3=CC=C(C=C3)Cl |
| Cannoical_Smiles | C1=CC=C2C(=C1)C(=CC(=O)N2)CC(C(=O)O)NC(=O)C3=CC=C(C=C3)Cl |
| Gotenzyme_Smiles | CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1 |
