COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL023631
Chemical Name: 5-(3,4-dimethoxyphenyl)-2-[({2-[4-(phenylcarbonyl)piperazin-1-yl]ethyl}amino)methylidene]cyclohexane-1,3-dione
Smiles: COc1cc(ccc1OC)C1CC(=O)/C(=C/NCCN2CCN(CC2)C(=O)c2ccccc2)/C(=O)C1

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Molecular Weight: 491.59
Empirical Formula: C28H33N3O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.173
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 88
Number of rings: 4

     

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