COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK565190
Chemical Name: (E)-(3-chloro-4-ethoxyphenyl){1-[3-(diethylammonio)propyl]-2-(3,4-dimethoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}methanolate
Smiles: CCOc1ccc(cc1Cl)/C(=C\1/C(c2ccc(c(c2)OC)OC)N(C(=O)C1=O)CCC[NH+](CC)CC)/[O-]

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Molecular Weight: 531.05
Empirical Formula: C28H35ClN2O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.259
Rotatable bonds: 12
H-donors: 1
H-acceptors: 6
PSA: 92
Number of rings: 3

     

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