COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK440662
Chemical Name: (2Z)-2-{[1-(2-chlorobenzyl)-3-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methylidene}-4,4-dimethyl-3-oxopentanenitrile
Smiles: N#C/C(=C/c1cn(nc1c1ccc(c(c1)OC)OC)Cc1ccccc1Cl)/C(=O)C(C)(C)C

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Molecular Weight: 463.96
Empirical Formula: C26H26ClN3O3

Physical State: Dry powder
Available Amount: 145 mg

Lipinsky:
logP: 4.604
Rotatable bonds: 7
H-donors: 0
H-acceptors: 3
PSA: 77
Number of rings: 3

     

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