COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK562041
Chemical Name: (E)-(4-bromophenyl){1-[2-(dimethylammonio)ethyl]-4,5-dioxo-2-[4-(prop-2-en-1-yloxy)phenyl]pyrrolidin-3-ylidene}methanolate
Smiles: C=CCOc1ccc(cc1)C1/C(=C(/c2ccc(cc2)Br)\[O-])/C(=O)C(=O)N1CC[NH+](C)C

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Molecular Weight: 485.38
Empirical Formula: C24H25BrN2O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.915
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 74
Number of rings: 3

     

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