COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK112087
Chemical Name: 3-{3-[(E)-{4,6-dioxo-1-[4-(propan-2-yl)phenyl]-2-thioxotetrahydropyrimidin-5(2H)-ylidene}methyl]-2,5-dimethyl-1H-pyrrol-1-yl}-4-methylbenzoicacid
Smiles: CC(c1ccc(cc1)N1C(=S)NC(=O)/C(=C\c2cc(n(c2C)c2cc(ccc2C)C(=O)O)C)/C1=O)C

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Molecular Weight: 501.61
Empirical Formula: C28H27N3O4S

Physical State: Dry powder
Available Amount: 334 mg

Lipinsky:
logP: 6.513
Rotatable bonds: 3
H-donors: 2
H-acceptors: 4
PSA: 123
Number of rings: 4

     

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