COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL043371
Chemical Name: (E)-(4-chlorophenyl){2-(3,4-diethoxyphenyl)-1-[3-(dimethylammonio)propyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Smiles: CCOc1cc(ccc1OCC)C1/C(=C(/c2ccc(cc2)Cl)\[O-])/C(=O)C(=O)N1CCC[NH+](C)C

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Molecular Weight: 487
Empirical Formula: C26H31ClN2O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.752
Rotatable bonds: 9
H-donors: 1
H-acceptors: 5
PSA: 83
Number of rings: 3

     

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