COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK538440
Chemical Name: 3-{4-[(5E)-5-(3-nitrobenzylidene)-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl}propanenitrile
Smiles: N#CCCN1CCN(CC1)C1=NC(=O)/C(=C\c2cccc(c2)[N+](=O)[O-])/S1

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Molecular Weight: 371.42
Empirical Formula: C17H17N5O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.384
Rotatable bonds: 2
H-donors: 0
H-acceptors: 3
PSA: 130
Number of rings: 3

     

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