COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL046072
Chemical Name: (E)-(4-chlorophenyl){1-[3-(dimethylammonio)propyl]-4,5-dioxo-2-phenylpyrrolidin-3-ylidene}methanolate
Smiles: C[NH+](CCCN1C(c2ccccc2)/C(=C(/c2ccc(cc2)Cl)\[O-])/C(=O)C1=O)C

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Molecular Weight: 398.89
Empirical Formula: C22H23ClN2O3

Physical State: Dry powder
Available Amount: 306 mg

Lipinsky:
logP: 3.952
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 64
Number of rings: 3

     

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