(Rac)-BAY-985 | CAS 2101925-20-4 | AnyMole

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HIT212686703

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HIT212686703

HIT ID:HIT212686703
Cas No:2101925-20-4
常用名:(Rac)-BAY-985
IUPAC:1-(4-{1-[2-({6-[6-(dimethylamino)pyrimidin-4-yl]-1H-1,3-benzodiazol-2-yl}amino)pyridin-4-yl]ethyl}piperazin-1-yl)-3,3,3-trifluoropropan-1-one
IUPAC:1-(4-{1-[2-({6-[6-(dimethylamino)pyrimidin-4-yl]-1H-1,3-benzodiazol-2-yl}amino)pyridin-4-yl]ethyl}piperazin-1-yl)-3,3,3-trifluoropropan-1-one
InChI key:HZRJHVDNTDBTOZ-UHFFFAOYSA-N

分子式:C27H30F3N9O
分子量:553.594
氢键供体数 (HBD):2
氢键受体数 (HBA):8
LogP:4.0694804
SMILES:CC(N1CCN(CC1)C(=O)CC(F)(F)F)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2cc(ncn2)N(C)C)c1
SMILES:CC(N1CCN(CC1)C(=O)CC(F)(F)F)c1ccnc(Nc2nc3ccc(cc3[nH]2)-c2cc(ncn2)N(C)C)c1

(Rac)-BAY-985 is a potent, ATP-competitive and selective inhibitor of TBK1(IC50 of 1.5 nM),with antitumor efficacy.

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