COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL045001
Chemical Name: 2-{(E)-[2-({[1-(2-chlorobenzyl)-1H-benzimidazol-2-yl]sulfanyl}acetyl)hydrazinylidene]methyl}-5-(diethylammonio)phenolate
Smiles: CC[NH+](c1ccc(c(c1)[O-])/C=N/NC(=O)CSc1nc2c(n1Cc1ccccc1Cl)cccc2)CC

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Molecular Weight: 522.07
Empirical Formula: C27H28ClN5O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 8.28
Rotatable bonds: 9
H-donors: 2
H-acceptors: 2
PSA: 112
Number of rings: 4

     

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