COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL375862
Chemical Name: N-(2-cyanoethyl)-N-({5-[(1,3-dimethyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]furan-2-yl}methyl)methanesulfonamide
Smiles: N#CCCN(S(=O)(=O)C)Cc1ccc(o1)C=C1C(=O)N(C)C(=S)N(C1=O)C

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Molecular Weight: 410.47
Empirical Formula: C16H18N4O5S2

Physical State: Dry powder
Available Amount: 699 mg

Lipinsky:
logP: -0.092
Rotatable bonds: 5
H-donors: 0
H-acceptors: 5
PSA: 155
Number of rings: 2

     

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