COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK111479
Chemical Name: (4E)-4-{4-[(4-chlorophenyl)sulfanyl]-3-nitrobenzylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: Clc1ccc(cc1)Sc1ccc(cc1[N+](=O)[O-])/C=C/1\C(=NN(C1=O)c1ccccc1)C

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Molecular Weight: 449.92
Empirical Formula: C23H16ClN3O3S

Physical State: Dry powder
Available Amount: 346 mg

Lipinsky:
logP: 6.481
Rotatable bonds: 2
H-donors: 0
H-acceptors: 3
PSA: 103
Number of rings: 4

     

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