COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK000875
Chemical Name: methyl3-(3-{(Z)-[4,6-dioxo-1-(prop-2-en-1-yl)-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate
Smiles: C=CCN1C(=S)NC(=O)/C(=C/c2cc(n(c2C)c2cccc(c2)C(=O)OC)C)/C1=O

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Molecular Weight: 423.49
Empirical Formula: C22H21N3O4S

Physical State: Dry powder
Available Amount: 98 mg

Lipinsky:
logP: 4.13
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 112
Number of rings: 3

     

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