COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL037288
Chemical Name: 2-[(E)-{[4-(2-chlorobenzyl)piperazin-4-ium-1-yl]imino}methyl]-4,6-diiodophenolate
Smiles: Ic1cc(/C=N/N2CC[NH+](CC2)Cc2ccccc2Cl)c(c(c1)I)[O-]

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Molecular Weight: 581.62
Empirical Formula: C18H18ClI2N3O

Physical State: Dry powder
Available Amount: 263 mg

Lipinsky:
logP: 5.315
Rotatable bonds: 3
H-donors: 1
H-acceptors: 1
PSA: 43
Number of rings: 3

     

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