COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK021886
Chemical Name: 3-[(1E)-2-cyano-3-({4-[(2,6-dimethylphenyl)sulfamoyl]phenyl}amino)-3-oxoprop-1-en-1-yl]phenyl4-chlorobenzoate
Smiles: N#C/C(=C\c1cccc(c1)OC(=O)c1ccc(cc1)Cl)/C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1c(C)cccc1C

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Molecular Weight: 586.07
Empirical Formula: C31H24ClN3O5S

Physical State: Dry powder
Available Amount: 259 mg

Lipinsky:
logP: 7.504
Rotatable bonds: 4
H-donors: 2
H-acceptors: 5
PSA: 133
Number of rings: 4

     

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