COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK629431
Chemical Name: (4E)-4-{[(4-chloro-3-nitrophenyl)amino]methylidene}-2-(1,1-dioxidotetrahydrothiophen-3-yl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Smiles: CC1=NN(C(=O)/C/1=C/Nc1ccc(c(c1)[N+](=O)[O-])Cl)C1CCS(=O)(=O)C1

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Molecular Weight: 398.83
Empirical Formula: C15H15ClN4O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 0.517
Rotatable bonds: 1
H-donors: 1
H-acceptors: 5
PSA: 133
Number of rings: 3

     

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