COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK585041
Chemical Name: (E)-(4-chlorophenyl){1-[4-(dimethylammonio)phenyl]-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-3-ylidene}methanolate
Smiles: Clc1ccc(cc1)/C(=C\1/C(c2cccc(c2)[N+](=O)[O-])N(C(=O)C1=O)c1ccc(cc1)[NH+](C)C)/[O-]

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Molecular Weight: 477.9
Empirical Formula: C25H20ClN3O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.173
Rotatable bonds: 1
H-donors: 1
H-acceptors: 5
PSA: 110
Number of rings: 4

     

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