COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL041607
Chemical Name: (4E)-1-(6-chloro-1,3-benzothiazol-2-yl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-[3-methoxy-4-(pentyloxy)phenyl]pyrrolidine-2,3-dione
Smiles: CCCCCOc1ccc(cc1OC)C1/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C(=O)N1c1sc2c(n1)ccc(c2)Cl

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Molecular Weight: 621.11
Empirical Formula: C32H29ClN2O7S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 7.842
Rotatable bonds: 9
H-donors: 1
H-acceptors: 7
PSA: 135
Number of rings: 6

     

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