COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK042403
Chemical Name: (4E)-4-[4-(dimethylamino)benzylidene]-5-methyl-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-2,4-dihydro-3H-pyrazol-3-one
Smiles: CC1=NN(C(=O)/C/1=C/c1ccc(cc1)N(C)C)c1scc(n1)c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 433.49
Empirical Formula: C22H19N5O3S

Physical State: Dry powder
Available Amount: 70 mg

Lipinsky:
logP: 4.276
Rotatable bonds: 1
H-donors: 0
H-acceptors: 3
PSA: 122
Number of rings: 4

     

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