COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK565420
Chemical Name: (E)-{1-[3-(diethylammonio)propyl]-2-(3,4-dimethoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}(2,4-dimethyl-1,3-thiazol-5-yl)methanolate
Smiles: CC[NH+](CCCN1C(=O)C(=O)/C(=C(\c2sc(nc2C)C)/[O-])/C1c1ccc(c(c1)OC)OC)CC

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Molecular Weight: 487.62
Empirical Formula: C25H33N3O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.571
Rotatable bonds: 10
H-donors: 1
H-acceptors: 5
PSA: 124
Number of rings: 3

     

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