SMILES for Eosinophil peroxidase

9 SMILES Strings for Eosinophil peroxidase

Compound Name

SMILES String

Nc1cc(C2CCNCc3cccc(COc4cccc(Cn5cc2cn5)c4)c3)c2nn[nH]c2n1

Nc1cc([C@@H]2CCNCCc3cccc(Oc4cccc(Cn5cc2cn5)c4)c3)c2nn[nH]c2n1 |r|

Nc1cc(C2CCNC3CCC(CC3)COc3cccc(Cn4cc2cn4)c3)c2nn[nH]c2n1 |(-4.53,-6.28,;-3.2,-5.51,;-3.2,-3.97,;-1.86,-3.2,;-1.86,-1.66,;-.53,-.89,;.8,-1.66,;2.14,-.89,;5.57,1.94,;4.09,2.33,;2.6,1.94,;1.83,3.28,;3.31,2.89,;4.8,3.28,;.49,2.51,;.09,3.99,;-1.39,4.39,;-1.79,5.88,;-3.28,6.28,;-4.37,5.19,;-3.97,3.7,;-5.06,2.61,;-4.66,1.13,;-3.2,.65,;-3.2,-.89,;-4.66,-1.37,;-5.57,-.12,;-2.48,3.3,;-.53,-3.97,;.94,-3.49,;1.84,-4.74,;.94,-5.99,;-.53,-5.51,;-1.86,-6.28,)|

BDBM434844

Nc1cc([C@H]2CCNCC3(CC3)COc3cccc(Cn4cc2cn4)c3)c2nn[nH]c2n1 |r|

BDBM50507390

Nc1cc(SCc2ccccc2F)c2nn[nH]c2n1

BDBM50106515

c1ccc(cc1)COc2c3c(nc(n2)N)nn[nH]3

BDBM357629

Nc1cc(Cc2ccccc2)c2nn[nH]c2n1

BDBM50554034

c1ccc(cc1)[C@@H]2C[C@@H](c3c2cccc3)NCC[C@H](c4ccccc4)c5cc(nc6c5nn[nH]6)N

BDBM50554035

c1ccc(cc1)[C@@H](CCNC23CCC(CC2)(CC3)c4ccccc4)c5cc(nc6c5nn[nH]6)N