COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL372400
Chemical Name: N-(2-cyanoethyl)-N-[(5-{(E)-[1-(3,4-dimethylphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}furan-2-yl)methyl]methanesulfonamide
Smiles: N#CCCN(S(=O)(=O)C)Cc1ccc(o1)/C=C/1\C(=O)NC(=S)N(C1=O)c1ccc(c(c1)C)C

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Molecular Weight: 486.57
Empirical Formula: C22H22N4O5S2

Physical State: Dry powder
Available Amount: 829 mg

Lipinsky:
logP: 2.818
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 164
Number of rings: 3

     

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