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Smiles

Examples in SMILES format

Some examples of hERG blocker compounds are provided herein, just click to the molecule name and save the SMILES code to your computer to submit it to the LQT@PhI server.

COMPOUND NAME SMILES CODE
4-aminopyridine Nc1ccncc1
Alosetron Cc1[nH]cnc1CN1CCc2c(C1=O)c1ccccc1n2C
Amiodarone CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1
Azimilide CN1CCN(CCCCN2C(=O)CN(\N=C\c3ccc(o3)-c3ccc(Cl)cc3)C2=O)CC1
Budipine CC(C)(C)N1CCC(CC1)(c1ccccc1)c1ccccc1
Caffeine Cn1cnc2n(C)c(=O)n(C)c(=O)c12
Dofetilide CN(CCOc1ccc(NS(C)(=O)=O)cc1)CCc1ccc(NS(C)(=O)=O)cc1
Risperidone Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12
Sertindole Fc1ccc(cc1)-n1cc(C2CCN(CC2)CCN2CCNC2=O)c2cc(Cl)ccc12
Sildenafil CCCc1nn(C)c2c1[nH]c(nc2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(C)CC1
Trazodone Clc1cccc(c1)N1CCN(CCCn2nc3ccccn3c2=O)CC1
Vesnarinone COc1ccc(cc1OC)C(=O)N1CCN(CC1)c1ccc2NC(=O)CCc2c1

To learn more about the SMILES format, click here.