COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL234940
Chemical Name: ethyl4-{2,5,7-trioxo-8-[(E)-2-phenylethenyl]-3,4a,5,7,7a,8-hexahydropyrrolo[3',4':5,6]thiopyrano[2,3-d][1,3]thiazol-6(2H)-yl}benzoate
Smiles: CCOC(=O)c1ccc(cc1)N1C(=O)C2C(C1=O)C(/C=C/c1ccccc1)c1c(S2)[nH]c(=O)s1

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Molecular Weight: 492.58
Empirical Formula: C25H20N2O5S2

Physical State: Dry powder
Available Amount: 312 mg

Lipinsky:
logP: 5.857
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 143
Number of rings: 5

     

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