COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK558862
Chemical Name: (E)-(4-butoxy-3-methylphenyl){1-[2-(diethylammonio)ethyl]-2-(3,4-dimethoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}methanolate
Smiles: CCCCOc1ccc(cc1C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(c(c1)OC)OC)CC[NH+](CC)CC)/[O-]

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Molecular Weight: 524.66
Empirical Formula: C30H40N2O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.103
Rotatable bonds: 13
H-donors: 1
H-acceptors: 6
PSA: 92
Number of rings: 3

     

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