COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK515279
Chemical Name: 1-(6-chloro-1,3-benzothiazol-2-yl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)-3-hydroxy-5-[3-(pentyloxy)phenyl]-1,5-dihydro-2H-pyrrol-2-one
Smiles: CCCCCOc1cccc(c1)C1N(c2nc3c(s2)cc(cc3)Cl)C(=O)C(=C1C(=O)c1ccc2c(c1)OCCO2)O

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Molecular Weight: 591.08
Empirical Formula: C31H27ClN2O6S

Physical State: Dry powder
Available Amount: 104 mg

Lipinsky:
logP: 7.938
Rotatable bonds: 9
H-donors: 1
H-acceptors: 6
PSA: 126
Number of rings: 6

     

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