COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK077726
Chemical Name: (4E)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-(4-hydroxy-3-methoxybenzylidene)-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: COc1cc(ccc1O)/C=C/1\C(=NN(C1=O)c1ccccc1)CSc1ccc(cc1)Cl

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Molecular Weight: 450.95
Empirical Formula: C24H19ClN2O3S

Physical State: Dry powder
Available Amount: 382 mg

Lipinsky:
logP: 5.978
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 87
Number of rings: 4

     

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