COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK028221
Chemical Name: 5-[4-(benzylsulfonyl)piperazin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitroaniline
Smiles: COc1cc(CCNc2cc(ccc2[N+](=O)[O-])N2CCN(CC2)S(=O)(=O)Cc2ccccc2)ccc1OC

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Molecular Weight: 540.64
Empirical Formula: C27H32N4O6S

Physical State: Dry powder
Available Amount: 342 mg

Lipinsky:
logP: 5.925
Rotatable bonds: 6
H-donors: 1
H-acceptors: 6
PSA: 125
Number of rings: 4

     

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