COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK434331
Chemical Name: (2Z)-2-{[3-(4-bromophenyl)-1H-pyrazol-4-yl]methylidene}-4,4-dimethyl-3-oxopentanenitrile
Smiles: N#C/C(=C/c1c[nH]nc1c1ccc(cc1)Br)/C(=O)C(C)(C)C

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Molecular Weight: 358.24
Empirical Formula: C17H16BrN3O

Physical State: Dry powder
Available Amount: 308 mg

Lipinsky:
logP: 3.963
Rotatable bonds: 2
H-donors: 1
H-acceptors: 1
PSA: 69
Number of rings: 2

     

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