COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK730162
Chemical Name: (2E)-3-(5-bromo-2-methoxyphenyl)-N-{[2-(piperidin-1-yl)phenyl]carbamothioyl}prop-2-enamide
Smiles: COc1ccc(cc1/C=C/C(=O)NC(=S)Nc1ccccc1N1CCCCC1)Br

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Molecular Weight: 474.42
Empirical Formula: C22H24BrN3O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.655
Rotatable bonds: 3
H-donors: 2
H-acceptors: 2
PSA: 85
Number of rings: 3

     

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