COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK378690
Chemical Name: (4E)-2-(4-nitrophenyl)-5-phenyl-4-(thiophen-2-ylmethylidene)-2,4-dihydro-3H-pyrazol-3-one
Smiles: O=C1N(N=C(/C/1=C\c1cccs1)c1ccccc1)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 375.41
Empirical Formula: C20H13N3O3S

Physical State: Dry powder
Available Amount: 147 mg

Lipinsky:
logP: 3.925
Rotatable bonds: 1
H-donors: 0
H-acceptors: 3
PSA: 106
Number of rings: 4

     

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