COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK004469
Chemical Name: (2E)-3-(2,4-dichlorophenyl)-1-[4-(4-nitro-3-{[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]amino}phenyl)piperazin-1-yl]prop-2-en-1-one
Smiles: Clc1ccc(c(c1)Cl)/C=C/C(=O)N1CCN(CC1)c1ccc(c(c1)NC(C12CC3CC(C2)CC(C1)C3)C)[N+](=O)[O-]

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Molecular Weight: 583.56
Empirical Formula: C31H36Cl2N4O3

Physical State: Dry powder
Available Amount: 88 mg

Lipinsky:
logP: 8.904
Rotatable bonds: 3
H-donors: 1
H-acceptors: 3
PSA: 81
Number of rings: 7

     

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