COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK567009
Chemical Name: (E)-{1-[3-(diethylammonio)propyl]-4,5-dioxo-2-(pyridin-2-yl)pyrrolidin-3-ylidene}(4-methylphenyl)methanolate
Smiles: CC[NH+](CCCN1C(=O)C(=O)/C(=C(\c2ccc(cc2)C)/[O-])/C1c1ccccn1)CC

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Molecular Weight: 407.51
Empirical Formula: C24H29N3O3

Physical State: Dry powder
Available Amount: 305 mg

Lipinsky:
logP: 3.458
Rotatable bonds: 7
H-donors: 1
H-acceptors: 3
PSA: 77
Number of rings: 3

     

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