COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK535579
Chemical Name: dimethyl2-({(E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-cyanoethenyl}amino)benzene-1,4-dicarboxylate
Smiles: N#C/C(=C\Nc1cc(ccc1C(=O)OC)C(=O)OC)/c1scc(n1)c1ccc2c(c1)OCO2

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Molecular Weight: 463.47
Empirical Formula: C23H17N3O6S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.939
Rotatable bonds: 6
H-donors: 1
H-acceptors: 6
PSA: 148
Number of rings: 4

     

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