COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK719189
Chemical Name: (4E)-4-{[(3,5-dimethylphenyl)amino]methylidene}-2-(1,1-dioxidotetrahydrothiophen-3-yl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: Cc1cc(N/C=C/2\C(=NN(C2=O)C2CCS(=O)(=O)C2)C)cc(c1)C

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Molecular Weight: 347.44
Empirical Formula: C17H21N3O3S

Physical State: Dry powder
Available Amount: 305 mg

Lipinsky:
logP: 0.268
Rotatable bonds: 1
H-donors: 1
H-acceptors: 3
PSA: 87
Number of rings: 3

     

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