COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL367811
Chemical Name: (4E)-5-hydroxy-4-(3-methoxy-4-{2-[(4-methylbenzyl)sulfanyl]ethoxy}benzylidene)-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: COc1cc(ccc1OCCSCc1ccc(cc1)C)/C=C/1\C(=NN(C1=O)c1ccccc1)O

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Molecular Weight: 474.58
Empirical Formula: C27H26N2O4S

Physical State: Dry powder
Available Amount: 652 mg

Lipinsky:
logP: 5.803
Rotatable bonds: 8
H-donors: 1
H-acceptors: 4
PSA: 96
Number of rings: 4

     

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