COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK614014
Chemical Name: 4-(3-{(Z)-[1-(4-butylphenyl)-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoicacid
Smiles: CCCCc1ccc(cc1)N1C(=NC(=O)/C(=C/c2cc(n(c2C)c2ccc(cc2)C(=O)O)C)/C1=O)S

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Molecular Weight: 501.61
Empirical Formula: C28H27N3O4S

Physical State: Dry powder
Available Amount: 159 mg

Lipinsky:
logP: 7.214
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 130
Number of rings: 4

     

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