COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK663461
Chemical Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-{4-[(3,4-dimethoxyphenyl)sulfonyl]piperazin-1-yl}-2-nitroaniline
Smiles: COc1ccc(cc1OC)CCNc1cc(ccc1[N+](=O)[O-])N1CCN(CC1)S(=O)(=O)c1ccc(c(c1)OC)OC

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Molecular Weight: 586.67
Empirical Formula: C28H34N4O8S

Physical State: Dry powder
Available Amount: 53 mg

Lipinsky:
logP: 6.616
Rotatable bonds: 8
H-donors: 1
H-acceptors: 8
PSA: 143
Number of rings: 4

     

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