COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK560781
Chemical Name: 2-{(E)-[2-({[4,5-bis(4-methoxyphenyl)-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}-4,6-dibromophenolate
Smiles: COc1ccc(cc1)n1c(SCC(=O)N/N=C/c2cc(Br)cc(c2[O-])Br)[nH+]nc1c1ccc(cc1)OC

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Molecular Weight: 647.35
Empirical Formula: C25H21Br2N5O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 9.464
Rotatable bonds: 5
H-donors: 2
H-acceptors: 4
PSA: 140
Number of rings: 4

     

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