COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL040205
Chemical Name: (1E,2E)-1-{1-[2-(diethylammonio)ethyl]-2-(3,4-dimethoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}-3-phenylprop-2-en-1-olate
Smiles: COc1cc(ccc1OC)C1N(CC[NH+](CC)CC)C(=O)C(=O)/C/1=C(\C=C\c1ccccc1)/[O-]

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Molecular Weight: 464.56
Empirical Formula: C27H32N2O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.911
Rotatable bonds: 9
H-donors: 1
H-acceptors: 5
PSA: 83
Number of rings: 3

     

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