COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK803803
Chemical Name: (2E)-3-(4-hydroxy-3-methoxy-5-nitrophenyl)-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: N#C/C(=C\c1cc(OC)c(c(c1)[N+](=O)[O-])O)/c1scc(n1)c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 424.39
Empirical Formula: C19H12N4O6S

Physical State: Dry powder
Available Amount: 76 mg

Lipinsky:
logP: 4.912
Rotatable bonds: 5
H-donors: 1
H-acceptors: 6
PSA: 186
Number of rings: 3

     

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