COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK029387
Chemical Name: 3-{2,5-dimethyl-3-[(E)-(1-methyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-1H-pyrrol-1-yl}-2-methylbenzoicacid
Smiles: CN1C(=S)NC(=O)/C(=C\c2cc(n(c2C)c2cccc(c2C)C(=O)O)C)/C1=O

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Molecular Weight: 397.45
Empirical Formula: C20H19N3O4S

Physical State: Dry powder
Available Amount: 113 mg

Lipinsky:
logP: 3.422
Rotatable bonds: 3
H-donors: 2
H-acceptors: 4
PSA: 123
Number of rings: 3

     

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