COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK036449
Chemical Name: 5-(3,5-dimethylpiperazin-1-yl)-2-nitro-N-[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]aniline
Smiles: CC1NC(C)CN(C1)c1ccc(c(c1)NC(C12CC3CC(C2)CC(C1)C3)C)[N+](=O)[O-]

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Molecular Weight: 412.58
Empirical Formula: C24H36N4O2

Physical State: Dry powder
Available Amount: 368 mg

Lipinsky:
logP: 7.145
Rotatable bonds: 1
H-donors: 2
H-acceptors: 2
PSA: 73
Number of rings: 6

     

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