COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK898637
Chemical Name: 4-{(E)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-cyanoethenyl}-2-nitrophenylacetate
Smiles: N#C/C(=C\c1ccc(c(c1)[N+](=O)[O-])OC(=O)C)/c1scc(n1)c1ccc(cc1)Cl

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Molecular Weight: 425.85
Empirical Formula: C20H12ClN3O4S

Physical State: Dry powder
Available Amount: 988 mg

Lipinsky:
logP: 5.625
Rotatable bonds: 4
H-donors: 0
H-acceptors: 4
PSA: 137
Number of rings: 3

     

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