COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK047955
Chemical Name: 2-methoxy-4-[(E)-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]phenyl4-methylbenzenesulfonate
Smiles: COc1cc(ccc1OS(=O)(=O)c1ccc(cc1)C)/C=C/1\C(=NN(C1=O)c1ccccc1)C

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Molecular Weight: 462.53
Empirical Formula: C25H22N2O5S

Physical State: Dry powder
Available Amount: 104 mg

Lipinsky:
logP: 4.239
Rotatable bonds: 4
H-donors: 0
H-acceptors: 5
PSA: 93
Number of rings: 4

     

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