Submission Details
Molecule(s):
COc1cc(C2CC(c3cccs3)=NN2C(=O)COC(C)=O)ccc1OC(F)F
Cc1ccc(C2=NN(C(=O)CCl)C(c3ccco3)C2)cc1
COc1ccc(C2CC(c3cccs3)=NN2C(=O)COC(C)=O)cc1OC
COc1cc(C2CC(c3cccs3)=NN2C(=O)CCl)ccc1OC(F)F
O=C(CCl)N1N=C(c2ccco2)CC1c1cccc(Cl)c1
O=C(CCl)N1N=C(c2ccco2)CC1c1cccs1
COc1ccc(C2CC(c3ccc4ccccc4c3)=NN2C(=O)CCl)cc1
COc1ccc(C2CC(c3ccccc3)=NN2C(=O)CCl)cc1
O=C(CCl)N1N=C(c2cccs2)CC1c1cccs1
O=C(CCl)N1N=C(c2cccs2)CC1c1ccco1
COc1ccc(C2=NN(C(=O)CCl)C(c3ccco3)C2)cc1
O=C(CCl)N1N=C(c2ccc(Cl)cc2)CC1c1ccco1
Design Rationale:
Based on IC50 value of MAT-POS-916a2c5a-1, I submitted this structure to REAL space navigator and these were the alphachloropyrazines in REAL space.