COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL046044
Chemical Name: (E)-{1-[2-(diethylammonio)ethyl]-2-(2,3-dimethoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}[5-(methoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methanolate
Smiles: CC[NH+](CCN1C(=O)C(=O)/C(=C(\c2c(C)[nH]c(c2C)C(=O)OC)/[O-])/C1c1cccc(c1OC)OC)CC

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Molecular Weight: 513.59
Empirical Formula: C27H35N3O7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.991
Rotatable bonds: 11
H-donors: 2
H-acceptors: 7
PSA: 125
Number of rings: 3

     

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