COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK009902
Chemical Name: (3-bromo-4-methoxyphenyl)[4-(3-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-4-nitrophenyl)piperazin-1-yl]methanone
Smiles: COc1ccc(cc1Br)C(=O)N1CCN(CC1)c1ccc(c(c1)NCCc1ccc(c(c1)OC)OC)[N+](=O)[O-]

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Molecular Weight: 599.48
Empirical Formula: C28H31BrN4O6

Physical State: Dry powder
Available Amount: 387 mg

Lipinsky:
logP: 6.054
Rotatable bonds: 7
H-donors: 1
H-acceptors: 6
PSA: 109
Number of rings: 4

     

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