COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL411891
Chemical Name: {3-bromo-5-methoxy-4-[(3-nitrobenzyl)oxy]phenyl}(pyrrolidin-1-yl)methanethione
Smiles: COc1cc(cc(c1OCc1cccc(c1)[N+](=O)[O-])Br)C(=S)N1CCCC1

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Molecular Weight: 451.34
Empirical Formula: C19H19BrN2O4S

Physical State: Dry powder
Available Amount: 206 mg

Lipinsky:
logP: 4.309
Rotatable bonds: 5
H-donors: 0
H-acceptors: 4
PSA: 99
Number of rings: 3

     

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