COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK434558
Chemical Name: (2Z)-2-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]-4,4-dimethyl-3-oxopentanenitrile
Smiles: N#C/C(=C/c1cc2OCOc2cc1Cl)/C(=O)C(C)(C)C

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Molecular Weight: 291.73
Empirical Formula: C15H14ClNO3

Physical State: Dry powder
Available Amount: 500 mg

Lipinsky:
logP: 3.685
Rotatable bonds: 2
H-donors: 0
H-acceptors: 3
PSA: 59
Number of rings: 2

     

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