BDBM50110681 CHEMBL430266::Calyculin-A

SMILES: COC[C@@H]([C@H](O)[C@H](O)C(=O)NCC[C@H](C)c1nc(\C=C\C[C@@H]2O[C@]3(C[C@@H](O)[C@@H]2C)O[C@H]([C@H](C[C@H](O)[C@H](C)[C@H](O)[C@H](C)\C=C(/C)\C(\C)=C\C=C\C(\C)=C/C#N)OC)[C@H](OP(O)(O)=O)C3(C)C)co1)N(C)C

InChI Key: InChIKey=FKAWLXNLHHIHLA-UHFFFAOYSA-N

Data: 20 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match