COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL001754
Chemical Name: (2Z)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-{4-[2-(4-chlorophenyl)-2-oxoethoxy]-3-methoxyphenyl}prop-2-enenitrile
Smiles: COc1cc(ccc1OCC(=O)c1ccc(cc1)Cl)/C=C(\c1scc(n1)c1ccc2c(c1)OCO2)/C#N

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Molecular Weight: 530.99
Empirical Formula: C28H19ClN2O5S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 6.904
Rotatable bonds: 7
H-donors: 0
H-acceptors: 5
PSA: 118
Number of rings: 5

     

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