COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL044201
Chemical Name: (4E)-4-[(4-chlorophenyl)(hydroxy)methylidene]-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-[4-(propan-2-yl)phenyl]pyrrolidine-2,3-dione
Smiles: Clc1ccc(cc1)/C(=C\1/C(c2ccc(cc2)C(C)C)N(C(=O)C1=O)c1nc2c(s1)cc(cc2C)C)/O

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Molecular Weight: 517.05
Empirical Formula: C29H25ClN2O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 8.413
Rotatable bonds: 1
H-donors: 1
H-acceptors: 3
PSA: 98
Number of rings: 5

     

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