COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK562276
Chemical Name: (4E)-5-(4-bromophenyl)-4-[(4-ethoxyphenyl)(hydroxy)methylidene]-1-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione
Smiles: CCOc1ccc(cc1)/C(=C\1/C(c2ccc(cc2)Br)N(C(=O)C1=O)c1sc2c(n1)ccc(c2)C)/O

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Molecular Weight: 549.44
Empirical Formula: C27H21BrN2O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 7.338
Rotatable bonds: 2
H-donors: 1
H-acceptors: 4
PSA: 107
Number of rings: 5

     

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