COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL042460
Chemical Name: (E)-{2-(3,4-dichlorophenyl)-1-[2-(dimethylammonio)ethyl]-4,5-dioxopyrrolidin-3-ylidene}[4-(propan-2-yloxy)phenyl]methanolate
Smiles: C[NH+](CCN1C(c2ccc(c(c2)Cl)Cl)/C(=C(/c2ccc(cc2)OC(C)C)\[O-])/C(=O)C1=O)C

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Molecular Weight: 477.39
Empirical Formula: C24H26Cl2N2O4

Physical State: Dry powder
Available Amount: 307 mg

Lipinsky:
logP: 5.192
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 74
Number of rings: 3

     

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