COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK055132
Chemical Name: 1-[4-(3-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-4-nitrophenyl)piperazin-1-yl]propan-1-one
Smiles: CCC(=O)N1CCN(CC1)c1ccc(c(c1)NCCc1ccc(c(c1)OC)OC)[N+](=O)[O-]

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Molecular Weight: 442.52
Empirical Formula: C23H30N4O5

Physical State: Dry powder
Available Amount: 394 mg

Lipinsky:
logP: 4.58
Rotatable bonds: 6
H-donors: 1
H-acceptors: 5
PSA: 99
Number of rings: 3

     

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