COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK564302
Chemical Name: (E)-(4-chlorophenyl){1-[3-(dimethylammonio)propyl]-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-3-ylidene}methanolate
Smiles: C[NH+](CCCN1C(c2cccc(c2)[N+](=O)[O-])/C(=C(/c2ccc(cc2)Cl)\[O-])/C(=O)C1=O)C

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Molecular Weight: 443.89
Empirical Formula: C22H22ClN3O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.682
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 110
Number of rings: 3

     

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