Calculated Values
MW: 821.83 Hbond donors: 1 Hbond acceptors: 9 cLogP: 9.73 TPSA: 110.94 SMILES: show ClCC(N(CC1=CC=CC=C1)C2=CC=C(OC3=CC=C(OCCCCNC(C[C@@H](C4=NN=C(N4C5=C6C(C)=C(S5)C)C)N=C6C(C=C7)=CC=C7Cl)=O)C=C3)C=C2)=O Linker type: Alkane Incubation time (hours): 3 Cells: 231MFP breast cancer cells, HeLa IC50: = 0.54 μM Dmax: > 50 % Off-targets reported?: Yes, MT2A, ZC2HC1A, ZNF367, and ENSA were also down-regulated Contributed by: Yangwode Jing |