COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL374861
Chemical Name: 4-{2,5-dimethyl-3-[(E)-(1-methyl-4,6-dioxo-3-phenyl-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-1H-pyrrol-1-yl}benzoicacid
Smiles: S=C1N(C)C(=O)/C(=C\c2cc(n(c2C)c2ccc(cc2)C(=O)O)C)/C(=O)N1c1ccccc1

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Molecular Weight: 459.53
Empirical Formula: C25H21N3O4S

Physical State: Dry powder
Available Amount: 708 mg

Lipinsky:
logP: 4.477
Rotatable bonds: 2
H-donors: 1
H-acceptors: 4
PSA: 114
Number of rings: 4

     

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