COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK134863
Chemical Name: 2-({[2-(4-acetylpiperazin-1-yl)ethyl]amino}methylidene)-5-(4-methoxyphenyl)cyclohexane-1,3-dione
Smiles: COc1ccc(cc1)C1CC(=O)/C(=C/NCCN2CCN(CC2)C(=O)C)/C(=O)C1

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Molecular Weight: 399.49
Empirical Formula: C22H29N3O4

Physical State: Dry powder
Available Amount: 456 mg

Lipinsky:
logP: 0.619
Rotatable bonds: 2
H-donors: 1
H-acceptors: 4
PSA: 78
Number of rings: 3

     

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