COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL290851
Chemical Name: 2-({[2-(4-acetylpiperazin-1-yl)ethyl]amino}methylidene)-5-(4-chlorophenyl)cyclohexane-1,3-dione
Smiles: CC(=O)N1CCN(CC1)CCN/C=C/1\C(=O)CC(CC1=O)c1ccc(cc1)Cl

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Molecular Weight: 403.91
Empirical Formula: C21H26ClN3O3

Physical State: Dry powder
Available Amount: 20 mg

Lipinsky:
logP: 1.299
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 69
Number of rings: 3

     

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