COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK255835
Chemical Name: 1-[4-(4-{[(E)-(2,3-dibromo-6-hydroxy-5-methoxyphenyl)methylidene]amino}phenyl)piperazin-1-yl]butan-1-one
Smiles: CCCC(=O)N1CCN(CC1)c1ccc(cc1)/N=C/c1c(Br)c(Br)cc(c1O)OC

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Molecular Weight: 539.27
Empirical Formula: C22H25Br2N3O3

Physical State: Dry powder
Available Amount: 647 mg

Lipinsky:
logP: 5.438
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 65
Number of rings: 3

     

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