COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK470391
Chemical Name: 4-(2-hydroxyethyl)-N-(4-nitrophenyl)piperazine-1-carbothioamide
Smiles: OCCN1CCN(CC1)C(=S)Nc1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 310.38
Empirical Formula: C13H18N4O3S

Physical State: Dry powder
Available Amount: 760 mg

Lipinsky:
logP: 1.121
Rotatable bonds: 2
H-donors: 2
H-acceptors: 3
PSA: 116
Number of rings: 2

     

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