COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK150448
Chemical Name: 2,2-dimethyl-1-[4-(4-nitro-3-{[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]amino}phenyl)piperazin-1-yl]propan-1-one
Smiles: O=C(C(C)(C)C)N1CCN(CC1)c1ccc(c(c1)NC(C12CC3CC(C2)CC(C1)C3)C)[N+](=O)[O-]

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Molecular Weight: 468.64
Empirical Formula: C27H40N4O3

Physical State: Dry powder
Available Amount: 118 mg

Lipinsky:
logP: 7.207
Rotatable bonds: 1
H-donors: 1
H-acceptors: 3
PSA: 81
Number of rings: 6

     

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