COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK001125
Chemical Name: 2-(4-tert-butylphenoxy)-1-[4-(3-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-4-nitrophenyl)piperazin-1-yl]ethanone
Smiles: COc1ccc(cc1OC)CCNc1cc(ccc1[N+](=O)[O-])N1CCN(CC1)C(=O)COc1ccc(cc1)C(C)(C)C

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Molecular Weight: 576.69
Empirical Formula: C32H40N4O6

Physical State: Dry powder
Available Amount: 328 mg

Lipinsky:
logP: 7.084
Rotatable bonds: 7
H-donors: 1
H-acceptors: 6
PSA: 109
Number of rings: 4

     

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