COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL294863
Chemical Name: 4-({(E)-[1-(3-chlorophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
Smiles: CCc1nnc(s1)NS(=O)(=O)c1ccc(cc1)N/C=C/1\C(=NN(C1=O)c1cccc(c1)Cl)C

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Molecular Weight: 503.01
Empirical Formula: C21H19ClN6O3S2

Physical State: Dry powder
Available Amount: 493 mg

Lipinsky:
logP: 3.175
Rotatable bonds: 1
H-donors: 2
H-acceptors: 3
PSA: 153
Number of rings: 4

     

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