COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK142966
Chemical Name: 2-({[2-(4-acetylpiperazin-1-yl)ethyl]amino}methylidene)-5-(4-methylphenyl)cyclohexane-1,3-dione
Smiles: Cc1ccc(cc1)C1CC(=O)/C(=C/NCCN2CCN(CC2)C(=O)C)/C(=O)C1

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Molecular Weight: 383.49
Empirical Formula: C22H29N3O3

Physical State: Dry powder
Available Amount: 848 mg

Lipinsky:
logP: 1.164
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 69
Number of rings: 3

     

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