COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK103084
Chemical Name: methyl4-{(E)-[2-({[4-(4-bromophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoate
Smiles: COC(=O)c1ccc(cc1)/C=N/NC(=O)CSc1nnc(n1c1ccc(cc1)Br)c1ccccc1

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Molecular Weight: 550.44
Empirical Formula: C25H20BrN5O3S

Physical State: Dry powder
Available Amount: 412 mg

Lipinsky:
logP: 8.135
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 123
Number of rings: 4

     

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