COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL044940
Chemical Name: (E)-(3-chloro-4-methoxyphenyl){1-[2-(dimethylammonio)ethyl]-2-(2-fluorophenyl)-4,5-dioxopyrrolidin-3-ylidene}methanolate
Smiles: COc1ccc(cc1Cl)/C(=C/1\C(=O)C(=O)N(C1c1ccccc1F)CC[NH+](C)C)/[O-]

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Molecular Weight: 432.88
Empirical Formula: C22H22ClFN2O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.855
Rotatable bonds: 6
H-donors: 1
H-acceptors: 4
PSA: 74
Number of rings: 3

     

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