COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK390666
Chemical Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitro-5-{4-[(3-nitrophenyl)sulfonyl]piperazin-1-yl}aniline
Smiles: COc1cc(CCNc2cc(ccc2[N+](=O)[O-])N2CCN(CC2)S(=O)(=O)c2cccc(c2)[N+](=O)[O-])ccc1OC

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Molecular Weight: 571.61
Empirical Formula: C26H29N5O8S

Physical State: Dry powder
Available Amount: 114 mg

Lipinsky:
logP: 6.06
Rotatable bonds: 6
H-donors: 1
H-acceptors: 8
PSA: 171
Number of rings: 4

     

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