COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK202532
Chemical Name: 4-[(5E)-4,6-dioxo-2-thioxo-5-[(1,2,5-trimethyl-1H-pyrrol-3-yl)methylidene]tetrahydropyrimidin-1(2H)-yl]benzoicacid
Smiles: S=C1NC(=O)/C(=C\c2cc(n(c2C)C)C)/C(=O)N1c1ccc(cc1)C(=O)O

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Molecular Weight: 383.43
Empirical Formula: C19H17N3O4S

Physical State: Dry powder
Available Amount: 341 mg

Lipinsky:
logP: 2.844
Rotatable bonds: 2
H-donors: 2
H-acceptors: 4
PSA: 123
Number of rings: 3

     

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