COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK568850
Chemical Name: (E)-{1-[3-(diethylammonio)propyl]-2-[3-methoxy-4-(3-methylbutoxy)phenyl]-4,5-dioxopyrrolidin-3-ylidene}(2,3-dihydro-1,4-benzodioxin-6-yl)methanolate
Smiles: CC[NH+](CCCN1C(=O)C(=O)/C(=C(\c2ccc3c(c2)OCCO3)/[O-])/C1c1ccc(c(c1)OC)OCCC(C)C)CC

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Molecular Weight: 566.69
Empirical Formula: C32H42N2O7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.924
Rotatable bonds: 13
H-donors: 1
H-acceptors: 7
PSA: 101
Number of rings: 4

     

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