COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK558791
Chemical Name: (E)-(4-chlorophenyl)[2-(2,4-dimethoxyphenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene]methanolate
Smiles: COc1ccc(c(c1)OC)C1/C(=C(/c2ccc(cc2)Cl)\[O-])/C(=O)C(=O)N1Cc1ccc[nH+]c1

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Molecular Weight: 464.9
Empirical Formula: C25H21ClN2O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.633
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 93
Number of rings: 4

     

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