COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK175393
Chemical Name: (3-ethoxyphenyl)[4-(4-nitro-3-{[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]amino}phenyl)piperazin-1-yl]methanone
Smiles: CCOc1cccc(c1)C(=O)N1CCN(CC1)c1ccc(c(c1)NC(C12CC3CC(C2)CC(C1)C3)C)[N+](=O)[O-]

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Molecular Weight: 532.68
Empirical Formula: C31H40N4O4

Physical State: Dry powder
Available Amount: 273 mg

Lipinsky:
logP: 7.783
Rotatable bonds: 4
H-donors: 1
H-acceptors: 4
PSA: 90
Number of rings: 7

     

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