COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK602588
Chemical Name: (4E)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[hydroxy(3-methoxyphenyl)methylidene]-5-(3-nitrophenyl)pyrrolidine-2,3-dione
Smiles: COc1cccc(c1)/C(=C\1/C(c2cccc(c2)[N+](=O)[O-])N(C(=O)C1=O)c1nc2c(s1)cc(cc2C)C)/O

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Molecular Weight: 515.55
Empirical Formula: C27H21N3O6S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.255
Rotatable bonds: 4
H-donors: 1
H-acceptors: 6
PSA: 153
Number of rings: 5

     

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