COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK853556
Chemical Name: 1-[5-(3-nitrophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]propan-1-one
Smiles: CCC(=O)N1N=C(CC1c1cccc(c1)[N+](=O)[O-])c1cccs1

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Molecular Weight: 329.38
Empirical Formula: C16H15N3O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.599
Rotatable bonds: 3
H-donors: 0
H-acceptors: 3
PSA: 106
Number of rings: 3

     

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