COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL396204
Chemical Name: 1-[5-(difluoromethyl)-5-hydroxy-3-methyl-4,5-dihydro-1H-pyrazol-1-yl]-2-(5-methyl-3-nitro-1H-pyrazol-1-yl)butan-1-one
Smiles: CCC(n1nc(cc1C)[N+](=O)[O-])C(=O)N1N=C(CC1(O)C(F)F)C

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Molecular Weight: 345.31
Empirical Formula: C13H17F2N5O4

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: -0.109
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 116
Number of rings: 2

     

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