COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL039709
Chemical Name: (E)-[2-(3-chlorophenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene](3,4-dimethoxyphenyl)methanolate
Smiles: COc1ccc(cc1OC)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)Cl)Cc1ccc[nH+]c1)/[O-]

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Molecular Weight: 464.9
Empirical Formula: C25H21ClN2O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.819
Rotatable bonds: 6
H-donors: 1
H-acceptors: 5
PSA: 93
Number of rings: 4

     

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