COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK896743
Chemical Name: (4E)-5-[(4-chlorophenyl)sulfanyl]-4-(3-methoxybenzylidene)-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: COc1cccc(c1)/C=C\1/C(=NN(C1=O)c1ccccc1)Sc1ccc(cc1)Cl

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Molecular Weight: 420.92
Empirical Formula: C23H17ClN2O2S

Physical State: Dry powder
Available Amount: 333 mg

Lipinsky:
logP: 6.908
Rotatable bonds: 3
H-donors: 0
H-acceptors: 2
PSA: 67
Number of rings: 4

     

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