COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK563612
Chemical Name: 4-[(E)-{2-[4-(2-cyanoethyl)piperazin-4-ium-1-yl]-4-oxo-1,3-thiazol-5(4H)-ylidene}methyl]-2-nitrophenolate
Smiles: N#CCC[NH+]1CCN(CC1)C1=NC(=O)/C(=C\c2ccc(c(c2)[N+](=O)[O-])[O-])/S1

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Molecular Weight: 387.42
Empirical Formula: C17H17N5O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.344
Rotatable bonds: 3
H-donors: 1
H-acceptors: 4
PSA: 155
Number of rings: 3

     

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