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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 C19251
pubchemid 124489923
name Indeno[1,2,3-cd]pyrene
formula C22H12
structure
Isomeric_Smiles CC[C@H](C)[C@@H](C(=O)O)NC(=O)C1=C(N=C(S1)C2=CC=C(C=C2)OC(F)(F)F)C
Cannoical_Smiles CCC(C)C(C(=O)O)NC(=O)C1=C(N=C(S1)C2=CC=C(C=C2)OC(F)(F)F)C
Gotenzyme_Smiles c1ccc2c(c1)-c1ccc3ccc4cccc5cc-2c1c3c45