COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL044786
Chemical Name: (E)-(4-butoxy-3-methylphenyl){1-[2-(diethylammonio)ethyl]-4,5-dioxo-2-(3,4,5-trimethoxyphenyl)pyrrolidin-3-ylidene}methanolate
Smiles: CCCCOc1ccc(cc1C)/C(=C/1\C(=O)C(=O)N(C1c1cc(OC)c(c(c1)OC)OC)CC[NH+](CC)CC)/[O-]

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Molecular Weight: 554.68
Empirical Formula: C31H42N2O7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.805
Rotatable bonds: 12
H-donors: 1
H-acceptors: 7
PSA: 101
Number of rings: 3

     

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