SMILES for Alpha-1-antitrypsin-related protein

11 SMILES Strings for Alpha-1-antitrypsin-related protein

Compound Name

SMILES String

BDBM50577283

FC(F)c1cncc(c1)-c1ccc2ncc3nnc(C4CCOCC4)n3c2c1

BDBM50577295

[H][C@@]12COC[C@]1([H])[C@H]2c1nnc2cnc3ccc(cc3n12)-c1cncc(c1)C(F)F |r|

BDBM50577296

FC(F)c1cncc(c1)-c1ccc2ncc3nnc(C4=CCOCC4)n3c2c1 |t:20|

BDBM50577297

FC(F)c1cncc(c1)-c1ccc2ncc3nnc(C4=CCCOCC4)n3c2c1 |t:20|

BDBM50577298

[H][C@@]12CCC[C@]1([H])[C@H]2c1nnc2cnc3ccc(cc3n12)-c1cncc(c1)C(F)F |r|

BDBM50577299

FC(F)c1cncc(c1)-c1ccc2ncc3nnc(C4=CCCCC4)n3c2c1 |t:20|

BDBM50577300

FC(F)c1cncc(c1)-c1ccc2ncc3nnc(C4=CCCCCC4)n3c2c1 |t:20|

BDBM50577301

CO[C@H]1CC[C@H](CC1)c1nnc2cnc3ccc(cc3n12)-c1cncc(c1)C(F)F |r,wU:5.8,2.1,(26.22,-45.52,;25.75,-46.98,;26.79,-48.11,;28.29,-47.78,;29.33,-48.92,;28.86,-50.39,;27.36,-50.72,;26.32,-49.58,;29.9,-51.52,;31.42,-51.35,;32.06,-52.74,;30.93,-53.78,;30.94,-55.33,;29.61,-56.11,;28.27,-55.34,;26.93,-56.12,;25.6,-55.34,;25.6,-53.8,;26.93,-53.03,;28.27,-53.79,;29.6,-53.02,;24.27,-53.03,;22.94,-53.8,;21.61,-53.04,;21.61,-51.49,;22.94,-50.72,;24.27,-51.49,;22.94,-49.19,;24.26,-48.42,;21.61,-48.42,)|

BDBM50577302

CO[C@H]1CC[C@@H](CC1)c1nnc2cnc3ccc(cc3n12)-c1cncc(c1)C(F)F |r,wU:5.8,wD:2.1,(43.27,-45.09,;42.81,-46.55,;43.84,-47.68,;43.38,-49.15,;44.41,-50.29,;45.91,-49.96,;46.38,-48.49,;45.35,-47.35,;46.95,-51.09,;48.48,-50.92,;49.11,-52.31,;47.98,-53.34,;48,-54.9,;46.66,-55.68,;45.32,-54.91,;43.99,-55.69,;42.65,-54.91,;42.66,-53.37,;43.99,-52.6,;45.32,-53.36,;46.65,-52.59,;41.32,-52.6,;40,-53.37,;38.67,-52.61,;38.66,-51.06,;39.99,-50.29,;41.33,-51.06,;39.99,-48.76,;41.32,-47.99,;38.66,-47.99,)|

BDBM350085

CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(cc1)S(=O)(=O)C(C)C

BDBM50647911

Cn1c(=O)n(C(C)(C)C#N)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21