COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK820233
Chemical Name: 5-(3-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one
Smiles: CCOc1ccc2c(c1)sc(n2)N1C(c2cccc(c2)Cl)C(=C(C1=O)O)C(=O)c1ccc2c(c1)OCCO2

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Saltdata: 1/3CH3COOH
Molecular Weight: 549
Empirical Formula: C28H21ClN2O6S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 6.344
Rotatable bonds: 6
H-donors: 1
H-acceptors: 6
PSA: 126
Number of rings: 6

     

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