COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL228658
Chemical Name: (4E)-4-(4-chlorobenzylidene)-2-(7,8-dimethoxy-1-oxo-1H-isothiochromen-3-yl)-1,3-oxazol-5(4H)-one
Smiles: COc1c(OC)ccc2c1c(=O)sc(c2)C1=N/C(=C/c2ccc(cc2)Cl)/C(=O)O1

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Molecular Weight: 427.86
Empirical Formula: C21H14ClNO5S

Available Amount: 0 mg

Lipinsky:
logP: 5.047
Rotatable bonds: 3
H-donors: 0
H-acceptors: 5
PSA: 99
Number of rings: 4

     

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