COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL042349
Chemical Name: (E)-{2-(4-butoxy-3-methoxyphenyl)-1-[3-(diethylammonio)propyl]-4,5-dioxopyrrolidin-3-ylidene}(2,3-dihydro-1,4-benzodioxin-6-yl)methanolate
Smiles: CCCCOc1ccc(cc1OC)C1/C(=C(/c2ccc3c(c2)OCCO3)\[O-])/C(=O)C(=O)N1CCC[NH+](CC)CC

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Molecular Weight: 552.67
Empirical Formula: C31H40N2O7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.577
Rotatable bonds: 13
H-donors: 1
H-acceptors: 7
PSA: 101
Number of rings: 4

     

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