COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK904586
Chemical Name: 3-{4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]-1-phenyl-1H-pyrazol-3-yl}-N,N-diethylbenzenesulfonamide
Smiles: N#C/C(=C\c1cn(nc1c1cccc(c1)S(=O)(=O)N(CC)CC)c1ccccc1)/c1nc2c(s1)cccc2

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Molecular Weight: 539.68
Empirical Formula: C29H25N5O2S2

Physical State: Dry powder
Available Amount: 404 mg

Lipinsky:
logP: 7.039
Rotatable bonds: 6
H-donors: 0
H-acceptors: 2
PSA: 128
Number of rings: 5

     

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