COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK992090
Chemical Name: ethyl6-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxylate
Smiles: CCOC(=O)c1c(C)oc2c1cc(OC)c(c2)/C=C(/c1nc2c(s1)cccc2)\C#N

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Molecular Weight: 418.47
Empirical Formula: C23H18N2O4S

Physical State: Dry powder
Available Amount: 400 mg

Lipinsky:
logP: 6.216
Rotatable bonds: 6
H-donors: 0
H-acceptors: 4
PSA: 113
Number of rings: 4

     

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