COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL148457
Chemical Name: (E)-{1-[3-(dimethylammonio)propyl]-4,5-dioxo-2-(3-phenoxyphenyl)pyrrolidin-3-ylidene}(4-methoxy-3-methylphenyl)methanolate
Smiles: COc1ccc(cc1C)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)Oc1ccccc1)CCC[NH+](C)C)/[O-]

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Molecular Weight: 500.59
Empirical Formula: C30H32N2O5

Physical State: Dry powder
Available Amount: 303 mg

Lipinsky:
logP: 5.825
Rotatable bonds: 8
H-donors: 1
H-acceptors: 5
PSA: 83
Number of rings: 4

     

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