COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK323993
Chemical Name: (3,4-dimethoxyphenyl)(4-{4-nitro-3-[(pyridin-3-ylmethyl)amino]phenyl}piperazin-1-yl)methanone
Smiles: COc1cc(ccc1OC)C(=O)N1CCN(CC1)c1ccc(c(c1)NCc1cccnc1)[N+](=O)[O-]

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Molecular Weight: 477.52
Empirical Formula: C25H27N5O5

Physical State: Dry powder
Available Amount: 72 mg

Lipinsky:
logP: 3.963
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 112
Number of rings: 4

     

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