COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK904785
Chemical Name: (2E)-2-cyano-3-{3-[3-(dimethylsulfamoyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-N-(furan-2-ylmethyl)prop-2-enamide
Smiles: N#C/C(=C\c1cn(nc1c1cccc(c1)S(=O)(=O)N(C)C)c1ccccc1)/C(=O)NCc1ccco1

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Saltdata: 1/4CH3COOH
Molecular Weight: 501.57
Empirical Formula: C26H23N5O4S

Physical State: Dry powder
Available Amount: 397 mg

Lipinsky:
logP: 3.446
Rotatable bonds: 6
H-donors: 1
H-acceptors: 4
PSA: 129
Number of rings: 4

     

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