COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL038050
Chemical Name: (E)-{2-(4-bromophenyl)-1-[3-(dimethylammonio)propyl]-4,5-dioxopyrrolidin-3-ylidene}[2-methyl-4-(propan-2-yloxy)phenyl]methanolate
Smiles: C[NH+](CCCN1C(c2ccc(cc2)Br)/C(=C(/c2ccc(cc2C)OC(C)C)\[O-])/C(=O)C1=O)C

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Molecular Weight: 515.45
Empirical Formula: C26H31BrN2O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.484
Rotatable bonds: 7
H-donors: 1
H-acceptors: 4
PSA: 74
Number of rings: 3

     

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