COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL367810
Chemical Name: (4E)-4-(3-methoxy-4-{2-[(4-methylbenzyl)sulfanyl]ethoxy}benzylidene)-1-phenylpyrazolidine-3,5-dione
Smiles: COc1cc(ccc1OCCSCc1ccc(cc1)C)/C=C/1\C(=O)NN(C1=O)c1ccccc1

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Molecular Weight: 474.58
Empirical Formula: C27H26N2O4S

Physical State: Dry powder
Available Amount: 224 mg

Lipinsky:
logP: 5.793
Rotatable bonds: 7
H-donors: 1
H-acceptors: 4
PSA: 93
Number of rings: 4

     

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