COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL044753
Chemical Name: 2-[(E)-(2-{[4-(2-chlorobenzyl)piperazin-1-ium-1-yl]acetyl}hydrazinylidene)methyl]-4,6-diiodophenolate
Smiles: Ic1cc(/C=N/NC(=O)C[NH+]2CCN(CC2)Cc2ccccc2Cl)c(c(c1)I)[O-]

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Molecular Weight: 638.67
Empirical Formula: C20H21ClI2N4O2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.375
Rotatable bonds: 5
H-donors: 2
H-acceptors: 2
PSA: 72
Number of rings: 3

     

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