生物智能计算平台

化合物信息

名称 内容
kegg编号 C11154
pubchemid 13336
name Trimetrexate
formula C19H23N5O3
structure
Isomeric_Smiles C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])SSC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]
Cannoical_Smiles C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])SSC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]
Gotenzyme_Smiles COc1cc(NCc2ccc3nc(N)nc(N)c3c2C)cc(OC)c1OC