COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK000002
Chemical Name: ethyl4-{2,5-dimethyl-3-[(E)-(1-methyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-1H-pyrrol-1-yl}benzoate
Smiles: CCOC(=O)c1ccc(cc1)n1c(C)cc(c1C)/C=C/1\C(=O)NC(=S)N(C1=O)C

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Molecular Weight: 411.48
Empirical Formula: C21H21N3O4S

Physical State: Dry powder
Available Amount: 106 mg

Lipinsky:
logP: 3.795
Rotatable bonds: 3
H-donors: 1
H-acceptors: 4
PSA: 112
Number of rings: 3

     

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