COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK559974
Chemical Name: (E)-{2-(4-bromophenyl)-1-[2-(dimethylammonio)ethyl]-4,5-dioxopyrrolidin-3-ylidene}(4-butoxy-3-methylphenyl)methanolate
Smiles: CCCCOc1ccc(cc1C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)Br)CC[NH+](C)C)/[O-]

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Molecular Weight: 515.45
Empirical Formula: C26H31BrN2O4

Physical State: Dry powder
Available Amount: 311 mg

Lipinsky:
logP: 6.074
Rotatable bonds: 8
H-donors: 1
H-acceptors: 4
PSA: 74
Number of rings: 3

     

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