COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK467675
Chemical Name: (2E)-2-{[3-(3,4-dimethoxyphenyl)-1-(4-fluorobenzyl)-1H-pyrazol-4-yl]methylidene}-4,4-dimethyl-3-oxopentanenitrile
Smiles: N#C/C(=C\c1cn(nc1c1ccc(c(c1)OC)OC)Cc1ccc(cc1)F)/C(=O)C(C)(C)C

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Molecular Weight: 447.51
Empirical Formula: C26H26FN3O3

Physical State: Dry powder
Available Amount: 251 mg

Lipinsky:
logP: 4.061
Rotatable bonds: 6
H-donors: 0
H-acceptors: 3
PSA: 77
Number of rings: 3

     

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