COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK188169
Chemical Name: methyl2-{3-[(1,3-dimethyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoate
Smiles: COC(=O)c1ccccc1n1c(C)cc(c1C)C=C1C(=O)N(C)C(=S)N(C1=O)C

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Molecular Weight: 411.48
Empirical Formula: C21H21N3O4S

Physical State: Dry powder
Available Amount: 366 mg

Lipinsky:
logP: 3.026
Rotatable bonds: 3
H-donors: 0
H-acceptors: 4
PSA: 103
Number of rings: 3

     

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