COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK100588
Chemical Name: N-[2-(4-chlorophenoxy)ethyl]-2-nitro-5-[4-(phenylsulfonyl)piperazin-1-yl]aniline
Smiles: Clc1ccc(cc1)OCCNc1cc(ccc1[N+](=O)[O-])N1CCN(CC1)S(=O)(=O)c1ccccc1

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Molecular Weight: 517.01
Empirical Formula: C24H25ClN4O5S

Physical State: Dry powder
Available Amount: 362 mg

Lipinsky:
logP: 6.412
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 116
Number of rings: 4

     

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