User: I want to create a molecule SMILES.
Assistant: This sounds very interesting. Should I consider any constraints for the creation?
User: Yes, please. The molecule can be described by:
The molecule is a nitrile that is acrylonitrile in which the hydrogen located beta,trans to the cyano group is replaced by a tosyl group. It is an inhibitor of cytokine-induced IkappaB-alpha phosphorylation in cells. It has a role as a non-steroidal anti-inflammatory drug, an EC 2.7.11.10 (IkappaB kinase) inhibitor, an EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor, a platelet aggregation inhibitor and an apoptosis inducer. It is a sulfone and a nitrile.
Assistant: Got it, here you go, this SMILES fits your description: Cc1ccc(S(=O)(=O)/C=C/C#N)cc1
User: I want to {#come up with|create|generate!} a {#molecule |!}{SMILES__description}.
Assistant: {#This sounds very exciting. |This sounds very interesting. !}Should I consider any {#constraints|specific points!} for the {#generation|creation!}?
User: Yes, please. The molecule can be described {#by|as!}:
{description#}
Assistant: {#Ok|Got it!},{# here you go,|!} this {SMILES__description} fits {#your|this!} description: {SMILES#}
Cc1ccc(S(=O)(=O)/C=C/C#N)cc1
(E)-3-(4-methylphenyl)sulfonylprop-2-enenitrile
The molecule is a nitrile that is acrylonitrile in which the hydrogen located beta,trans to the cyano group is replaced by a tosyl group. It is an inhibitor of cytokine-induced IkappaB-alpha phosphorylation in cells. It has a role as a non-steroidal anti-inflammatory drug, an EC 2.7.11.10 (IkappaB kinase) inhibitor, an EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor, a platelet aggregation inhibitor and an apoptosis inducer. It is a sulfone and a nitrile.