COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL040327
Chemical Name: (E)-{2-(3,4-dichlorophenyl)-1-[2-(dimethylammonio)ethyl]-4,5-dioxopyrrolidin-3-ylidene}[3-methyl-4-(propan-2-yloxy)phenyl]methanolate
Smiles: C[NH+](CCN1C(c2ccc(c(c2)Cl)Cl)/C(=C(/c2ccc(c(c2)C)OC(C)C)\[O-])/C(=O)C1=O)C

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Molecular Weight: 491.41
Empirical Formula: C25H28Cl2N2O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.652
Rotatable bonds: 7
H-donors: 1
H-acceptors: 4
PSA: 74
Number of rings: 3

     

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