COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK999421
Chemical Name: (2Z)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-(4-hydroxy-3-methoxy-5-nitrophenyl)prop-2-enenitrile
Smiles: N#C/C(=C/c1cc(OC)c(c(c1)[N+](=O)[O-])O)/c1scc(n1)c1ccc2c(c1)OCO2

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Molecular Weight: 423.41
Empirical Formula: C20H13N3O6S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.244
Rotatable bonds: 5
H-donors: 1
H-acceptors: 6
PSA: 158
Number of rings: 4

     

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