COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK192759
Chemical Name: 2-chloro-5-(2,5-dimethyl-3-{(Z)-[1-(2-methylphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-1H-pyrrol-1-yl)benzoicacid
Smiles: O=C1NC(=S)N(C(=O)/C/1=C\c1cc(n(c1C)c1ccc(c(c1)C(=O)O)Cl)C)c1ccccc1C

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Molecular Weight: 493.97
Empirical Formula: C25H20ClN3O4S

Physical State: Dry powder
Available Amount: 124 mg

Lipinsky:
logP: 5.319
Rotatable bonds: 3
H-donors: 2
H-acceptors: 4
PSA: 123
Number of rings: 4

     

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