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MTC 智能计算中心MTC Computing Center AI × 蛋白质与酶工程AI for Protein & Enzyme Engineering

化合物信息

名称 内容
kegg编号 C14488
pubchemid 17395488
name 21-Fluoroprogesterone
formula C21H29FO2
structure
Isomeric_Smiles CC1=NC(=C2C(=CSC2=N1)C3=CC=CC=C3)N(C)CC(=O)NCCOC
Cannoical_Smiles CC1=NC(=C2C(=CSC2=N1)C3=CC=CC=C3)N(C)CC(=O)NCCOC
Gotenzyme_Smiles C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)CF