COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK192505
Chemical Name: (5E)-5-{4-[(4-bromobenzyl)oxy]-3-methoxy-5-(prop-2-en-1-yl)benzylidene}-1-(3-bromophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Smiles: C=CCc1cc(/C=C/2\C(=O)NC(=S)N(C2=O)c2cccc(c2)Br)cc(c1OCc1ccc(cc1)Br)OC

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Molecular Weight: 642.37
Empirical Formula: C28H22Br2N2O4S

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: 7.3
Rotatable bonds: 6
H-donors: 1
H-acceptors: 4
PSA: 99
Number of rings: 4

     

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