COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL042487
Chemical Name: (E)-{1-[3-(diethylammonio)propyl]-2-[3-(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-])/C1c1cccc(c1)OCCC(C)C)CC

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Molecular Weight: 536.67
Empirical Formula: C31H40N2O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.103
Rotatable bonds: 12
H-donors: 1
H-acceptors: 6
PSA: 92
Number of rings: 4

     

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