COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK041531
Chemical Name: (4E)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-[4-(dimethylamino)benzylidene]-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: Clc1ccc(cc1)SCC1=NN(C(=O)/C/1=C/c1ccc(cc1)N(C)C)c1ccccc1

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Molecular Weight: 447.99
Empirical Formula: C25H22ClN3OS

Physical State: Dry powder
Available Amount: 876 mg

Lipinsky:
logP: 7.256
Rotatable bonds: 2
H-donors: 0
H-acceptors: 1
PSA: 61
Number of rings: 4

     

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