COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK878544
Chemical Name: propan-2-yl4-({(E)-2-cyano-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]ethenyl}amino)benzoate
Smiles: N#C/C(=C\Nc1ccc(cc1)C(=O)OC(C)C)/c1scc(n1)c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 434.48
Empirical Formula: C22H18N4O4S

Physical State: Dry powder
Available Amount: 111 mg

Lipinsky:
logP: 5.172
Rotatable bonds: 4
H-donors: 1
H-acceptors: 4
PSA: 149
Number of rings: 3

     

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