COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK149008
Chemical Name: (2E)-1-[4-(4-nitro-3-{[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]amino}phenyl)piperazin-1-yl]-3-phenylprop-2-en-1-one
Smiles: O=C(N1CCN(CC1)c1ccc(c(c1)NC(C12CC3CC(C2)CC(C1)C3)C)[N+](=O)[O-])/C=C/c1ccccc1

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Molecular Weight: 514.67
Empirical Formula: C31H38N4O3

Physical State: Dry powder
Available Amount: 114 mg

Lipinsky:
logP: 7.988
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 81
Number of rings: 7

     

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