COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK065885
Chemical Name: (4E)-4-[4-(dimethylamino)benzylidene]-5-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)-2,4-dihydro-3H-pyrazol-3-one
Smiles: O=C1N(N=C(/C/1=C\c1ccc(cc1)N(C)C)c1ccccc1)c1scc(n1)c1ccccc1

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Molecular Weight: 450.56
Empirical Formula: C27H22N4OS

Physical State: Dry powder
Available Amount: 182 mg

Lipinsky:
logP: 6.498
Rotatable bonds: 0
H-donors: 0
H-acceptors: 1
PSA: 77
Number of rings: 5

     

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