COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK143163
Chemical Name: 2-({[2-(4-acetylpiperazin-1-yl)ethyl]amino}methylidene)-5-(3,4-dimethoxyphenyl)cyclohexane-1,3-dione
Smiles: COc1cc(ccc1OC)C1CC(=O)/C(=C/NCCN2CCN(CC2)C(=O)C)/C(=O)C1

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Molecular Weight: 429.52
Empirical Formula: C23H31N3O5

Physical State: Dry powder
Available Amount: 171 mg

Lipinsky:
logP: 0.441
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 88
Number of rings: 3

     

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