COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK206117
Chemical Name: (4-butoxyphenyl){4-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-4-nitrophenyl]piperazin-1-yl}methanone
Smiles: CCCCOc1ccc(cc1)C(=O)N1CCN(CC1)c1ccc(c(c1)N1CCc2c(C1)cccc2)[N+](=O)[O-]

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Molecular Weight: 514.62
Empirical Formula: C30H34N4O4

Physical State: Dry powder
Available Amount: 144 mg

Lipinsky:
logP: 7.019
Rotatable bonds: 3
H-donors: 0
H-acceptors: 4
PSA: 81
Number of rings: 5

     

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