COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK143160
Chemical Name: 5-(4-chlorophenyl)-2-({[2-(4-hexanoylpiperazin-1-yl)ethyl]amino}methylidene)cyclohexane-1,3-dione
Smiles: CCCCCC(=O)N1CCN(CC1)CCN/C=C/1\C(=O)CC(CC1=O)c1ccc(cc1)Cl

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Molecular Weight: 460.02
Empirical Formula: C25H34ClN3O3

Physical State: Dry powder
Available Amount: 78 mg

Lipinsky:
logP: 3.424
Rotatable bonds: 6
H-donors: 1
H-acceptors: 3
PSA: 69
Number of rings: 3

     

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