COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK615549
Chemical Name: methyl4-{(3E)-3-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-[3-(dimethylamino)propyl]-4,5-dioxopyrrolidin-2-yl}benzoate
Smiles: COC(=O)c1ccc(cc1)C1/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C(=O)N1CCCN(C)C

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Molecular Weight: 480.52
Empirical Formula: C26H28N2O7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.161
Rotatable bonds: 6
H-donors: 1
H-acceptors: 7
PSA: 105
Number of rings: 4

     

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