COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK819948
Chemical Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-hydroxy-5-[3-(3-methylbutoxy)phenyl]-1,5-dihydro-2H-pyrrol-2-one
Smiles: CC(CCOc1cccc(c1)C1N(c2sc3c(n2)c(C)cc(c3)C)C(=O)C(=C1C(=O)c1ccc2c(c1)OCCO2)O)C

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Molecular Weight: 584.69
Empirical Formula: C33H32N2O6S

Physical State: Dry powder
Available Amount: 102 mg

Lipinsky:
logP: 8.079
Rotatable bonds: 8
H-donors: 1
H-acceptors: 6
PSA: 126
Number of rings: 6

     

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