COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK004437
Chemical Name: N-[2-(4-chlorophenoxy)ethyl]-5-{4-[(4-chlorophenyl)sulfonyl]piperazin-1-yl}-2-nitroaniline
Smiles: Clc1ccc(cc1)OCCNc1cc(ccc1[N+](=O)[O-])N1CCN(CC1)S(=O)(=O)c1ccc(cc1)Cl

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Molecular Weight: 551.45
Empirical Formula: C24H24Cl2N4O5S

Physical State: Dry powder
Available Amount: 354 mg

Lipinsky:
logP: 7.269
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 116
Number of rings: 4

     

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