COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK560325
Chemical Name: (4E)-5-(4-tert-butylphenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[hydroxy(4-methoxyphenyl)methylidene]pyrrolidine-2,3-dione
Smiles: COc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C(C)(C)C)c1sc2c(n1)c(C)cc(c2)C)/O

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Molecular Weight: 526.66
Empirical Formula: C31H30N2O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 8.183
Rotatable bonds: 1
H-donors: 1
H-acceptors: 4
PSA: 107
Number of rings: 5

     

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