COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK467337
Chemical Name: (2E)-3-[3-(4-bromophenyl)-1H-pyrazol-4-yl]-2-(phenylsulfonyl)prop-2-enenitrile
Smiles: N#C/C(=C\c1c[nH]nc1c1ccc(cc1)Br)/S(=O)(=O)c1ccccc1

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Molecular Weight: 414.28
Empirical Formula: C18H12BrN3O2S

Physical State: Dry powder
Available Amount: 163 mg

Lipinsky:
logP: 3.895
Rotatable bonds: 2
H-donors: 1
H-acceptors: 2
PSA: 94
Number of rings: 3

     

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