COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL045116
Chemical Name: 2-{(E)-[2-({[1-(2-chlorobenzyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl}acetyl)hydrazinylidene]methyl}-4,6-diiodophenolate
Smiles: O=C(CSc1[nH+]c2c(n1Cc1ccccc1Cl)cccc2)N/N=C/c1cc(I)cc(c1[O-])I

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Molecular Weight: 702.74
Empirical Formula: C23H17ClI2N4O2S

Physical State: Dry powder
Available Amount: 75 mg

Lipinsky:
logP: 9.617
Rotatable bonds: 7
H-donors: 2
H-acceptors: 2
PSA: 108
Number of rings: 4

     

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