COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK566650
Chemical Name: (E)-{1-[2-(diethylammonio)ethyl]-4,5-dioxo-2-(thiophen-2-yl)pyrrolidin-3-ylidene}(4-methoxyphenyl)methanolate
Smiles: CC[NH+](CCN1C(=O)C(=O)/C(=C(\c2ccc(cc2)OC)/[O-])/C1c1cccs1)CC

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Molecular Weight: 414.53
Empirical Formula: C22H26N2O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.989
Rotatable bonds: 6
H-donors: 1
H-acceptors: 4
PSA: 102
Number of rings: 3

     

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