COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK029616
Chemical Name: (4E)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-(2,4-dimethoxybenzylidene)-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: COc1ccc(c(c1)OC)/C=C/1\C(=NN(C1=O)c1ccccc1)CSc1ccc(cc1)Cl

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Molecular Weight: 464.97
Empirical Formula: C25H21ClN2O3S

Physical State: Dry powder
Available Amount: 1219 mg

Lipinsky:
logP: 6.581
Rotatable bonds: 5
H-donors: 0
H-acceptors: 3
PSA: 76
Number of rings: 4

     

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