COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL294900
Chemical Name: (4E)-4-{[(6-ethoxy-1,3-benzothiazol-2-yl)amino]methylidene}-2-(4-fluorophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: CCOc1ccc2c(c1)sc(n2)N/C=C/1\C(=NN(C1=O)c1ccc(cc1)F)C

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Molecular Weight: 396.45
Empirical Formula: C20H17FN4O2S

Physical State: Dry powder
Available Amount: 298 mg

Lipinsky:
logP: 3.938
Rotatable bonds: 2
H-donors: 1
H-acceptors: 2
PSA: 95
Number of rings: 4

     

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