COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK536912
Chemical Name: (2E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[(4-methoxy-2-nitrophenyl)amino]prop-2-enenitrile
Smiles: COc1ccc(c(c1)[N+](=O)[O-])N/C=C(/c1scc(n1)c1ccc2c(c1)OCO2)\C#N

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Molecular Weight: 422.42
Empirical Formula: C20H14N4O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.718
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 150
Number of rings: 4

     

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