COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK821916
Chemical Name: (2E)-3-[3-(4-bromophenyl)-1-phenyl-1H-pyrazol-4-yl]-2-cyano-N-(1,1-dioxidotetrahydrothiophen-3-yl)prop-2-enamide
Smiles: N#C/C(=C\c1cn(nc1c1ccc(cc1)Br)c1ccccc1)/C(=O)NC1CCS(=O)(=O)C1

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Molecular Weight: 511.4
Empirical Formula: C23H19BrN4O3S

Physical State: Dry powder
Available Amount: 99 mg

Lipinsky:
logP: 2.948
Rotatable bonds: 3
H-donors: 1
H-acceptors: 3
PSA: 113
Number of rings: 4

     

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