COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK561521
Chemical Name: (E)-{1-[3-(diethylammonio)propyl]-2-(2,5-dimethoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}(4-methoxyphenyl)methanolate
Smiles: CC[NH+](CCCN1C(=O)C(=O)/C(=C(\c2ccc(cc2)OC)/[O-])/C1c1cc(OC)ccc1OC)CC

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Molecular Weight: 482.58
Empirical Formula: C27H34N2O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.316
Rotatable bonds: 9
H-donors: 1
H-acceptors: 6
PSA: 92
Number of rings: 3

     

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