COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK192455
Chemical Name: 4-[(5Z)-5-{[1-(4-tert-butylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-4,6-dioxo-2-thioxotetrahydropyrimidin-1(2H)-yl]benzoicacid
Smiles: OC(=O)c1ccc(cc1)N1C(=S)NC(=O)/C(=C/c2cc(n(c2C)c2ccc(cc2)C(C)(C)C)C)/C1=O

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Molecular Weight: 501.61
Empirical Formula: C28H27N3O4S

Physical State: Dry powder
Available Amount: 91 mg

Lipinsky:
logP: 6.403
Rotatable bonds: 2
H-donors: 2
H-acceptors: 4
PSA: 123
Number of rings: 4

     

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