COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK991342
Chemical Name: 4-bromo-N-{(1Z)-1-[1-cyano-2-(cyclohexylamino)-2-oxoethylidene]-1H-isoindol-3-yl}benzamide
Smiles: N#C/C(=C\1/N=C(c2c1cccc2)NC(=O)c1ccc(cc1)Br)/C(=O)NC1CCCCC1

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Molecular Weight: 477.36
Empirical Formula: C24H21BrN4O2

Physical State: Dry powder
Available Amount: 60 mg

Lipinsky:
logP: 3.787
Rotatable bonds: 2
H-donors: 2
H-acceptors: 2
PSA: 94
Number of rings: 4

     

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