COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK200962
Chemical Name: 2-{3-[(1E)-2-cyano-3-(methylamino)-3-oxoprop-1-en-1-yl]-2,5-dimethyl-1H-pyrrol-1-yl}-4,5-dimethylthiophene-3-carboxylicacid
Smiles: CNC(=O)/C(=C/c1cc(n(c1C)c1sc(c(c1C(=O)O)C)C)C)/C#N

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Molecular Weight: 357.43
Empirical Formula: C18H19N3O3S

Physical State: Dry powder
Available Amount: 417 mg

Lipinsky:
logP: 3.088
Rotatable bonds: 4
H-donors: 2
H-acceptors: 3
PSA: 123
Number of rings: 2

     

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