COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK624007
Chemical Name: (4E)-4-[(1,3-benzodioxol-5-ylamino)methylidene]-2-(1,1-dioxidotetrahydrothiophen-3-yl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: CC1=NN(C(=O)/C/1=C/Nc1ccc2c(c1)OCO2)C1CCS(=O)(=O)C1

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Molecular Weight: 363.39
Empirical Formula: C16H17N3O5S

Physical State: Dry powder
Available Amount: 302 mg

Lipinsky:
logP: -0.446
Rotatable bonds: 1
H-donors: 1
H-acceptors: 5
PSA: 105
Number of rings: 4

     

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