COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL294854
Chemical Name: (4E)-2-(3,4-dimethylphenyl)-4-({[2-methoxy-4-(piperidin-1-ylsulfonyl)phenyl]amino}methylidene)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: COc1cc(ccc1N/C=C/1\C(=NN(C1=O)c1ccc(c(c1)C)C)C)S(=O)(=O)N1CCCCC1

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Molecular Weight: 482.6
Empirical Formula: C25H30N4O4S

Physical State: Dry powder
Available Amount: 532 mg

Lipinsky:
logP: 4.308
Rotatable bonds: 2
H-donors: 1
H-acceptors: 4
PSA: 99
Number of rings: 4

     

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