SMILES for Cytochrome P450 1A2/2C18/2C19

Compound Name

SMILES String

Nc1ccc(cc1NC(=O)c1ccc2nc(ccc2c1)N1CCNCC1)-c1ccco1

Nc1ccc(cc1NC(=O)c1ccc(nc1)N1CCNCC1)-c1ccccc1

Nc1ccc(cc1NC(=O)c1ccc(nc1)N1CCNCC1)-c1cccs1

Nc1ccc(cc1NC(=O)c1cc2ccc(cc2cn1)N1CCNCC1)-c1ccccc1

Nc1ccc(cc1NC(=O)c1cnc2cc(ccc2c1)N1CCNCC1)-c1ccoc1

CN1CCN(CC1)c1ccc(cn1)C(=O)Nc1cc(ccc1N)-c1ccncc1

CN1CCN(CC1)c1ccc(nc1)C(=O)Nc1cc(ccc1N)-c1ccncc1

CN1CCN(CC1)c1ncc(s1)C(=O)Nc1cc(ccc1N)-c1cccs1

Cc1nc(sc1C(=O)Nc1cc(ccc1N)-c1cccs1)N1CCNCC1

Nc1ccc(cc1NC(=O)c1cnc(s1)N1CCNCC1)-c1ccncc1