COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL049051
Chemical Name: (E)-{2-(3-bromo-4-hydroxy-5-methoxyphenyl)-1-[3-(diethylammonio)propyl]-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-])/C1c1cc(Br)c(c(c1)OC)O)CC

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Molecular Weight: 575.46
Empirical Formula: C27H31BrN2O7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.323
Rotatable bonds: 10
H-donors: 2
H-acceptors: 7
PSA: 112
Number of rings: 4

     

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