BDBM50277545 4-(9-chloro-7-(2-fluoro-6-methoxyphenyl)-5H-benzo[c]pyrimido[4,5-e]azepin-2-ylamino)-2-methoxybenzoic acid::Alisertib::CHEMBL483158::MLN8237::US10092556, Example MLN8237::US9346787, MLN8237

SMILES: COc1cc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2OC)ccc1C(O)=O

InChI Key: InChIKey=ZLHFILGSQDJULK-UHFFFAOYSA-N

Data: 3 KI  38 IC50  1 Kd

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