COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK822984
Chemical Name: (4Z)-4-{[3-(4-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-phenyl-5-[(pyridin-2-ylsulfanyl)methyl]-2,4-dihydro-3H-pyrazol-3-one
Smiles: CCOc1ccc(cc1)c1nn(cc1/C=C\1/C(=NN(C1=O)c1ccccc1)CSc1ccccn1)c1ccccc1

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Saltdata: 1/6CH3COOH
Molecular Weight: 557.68
Empirical Formula: C33H27N5O2S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 7.134
Rotatable bonds: 5
H-donors: 0
H-acceptors: 2
PSA: 97
Number of rings: 6

     

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