COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK344867
Chemical Name: (2E)-3-(5-bromo-2-methoxyphenyl)-N-{[2-(pyrrolidin-1-yl)-5-(trifluoromethyl)phenyl]carbamothioyl}prop-2-enamide
Smiles: COc1ccc(cc1/C=C/C(=O)NC(=S)Nc1cc(ccc1N1CCCC1)C(F)(F)F)Br

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Molecular Weight: 528.39
Empirical Formula: C22H21BrF3N3O2S

Physical State: Dry powder
Available Amount: 352 mg

Lipinsky:
logP: 7.122
Rotatable bonds: 3
H-donors: 2
H-acceptors: 2
PSA: 85
Number of rings: 3

     

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