COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK799315
Chemical Name: (2E)-2-[(4-chlorophenyl)sulfonyl]-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enenitrile
Smiles: N#C/C(=C\c1cn(nc1c1ccc2c(c1)OCCO2)c1ccccc1)/S(=O)(=O)c1ccc(cc1)Cl

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Molecular Weight: 503.97
Empirical Formula: C26H18ClN3O4S

Physical State: Dry powder
Available Amount: 97 mg

Lipinsky:
logP: 5.312
Rotatable bonds: 3
H-donors: 0
H-acceptors: 4
PSA: 102
Number of rings: 5

     

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