COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK618352
Chemical Name: (4E)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[hydroxy(3-methoxyphenyl)methylidene]-5-(3-hydroxyphenyl)pyrrolidine-2,3-dione
Smiles: COc1cccc(c1)/C(=C\1/C(c2cccc(c2)O)N(C(=O)C1=O)c1nc2c(s1)cc(cc2C)C)/O

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Molecular Weight: 486.55
Empirical Formula: C27H22N2O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.788
Rotatable bonds: 5
H-donors: 2
H-acceptors: 5
PSA: 128
Number of rings: 5

     

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