COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL330581
Chemical Name: 2-chloro-4-{2,5-dimethyl-3-[(E)-(1-methyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-1H-pyrrol-1-yl}benzoicacid
Smiles: CN1C(=O)NC(=O)/C(=C\c2cc(n(c2C)c2ccc(c(c2)Cl)C(=O)O)C)/C1=O

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Molecular Weight: 401.81
Empirical Formula: C19H16ClN3O5

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 2.503
Rotatable bonds: 3
H-donors: 2
H-acceptors: 5
PSA: 108
Number of rings: 3

     

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