COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL147647
Chemical Name: 4-{(1Z)-1-[2-({[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)hydrazinylidene]ethyl}-2-methoxyphenolate
Smiles: CCn1c(SCC(=O)N/N=C(\c2ccc(c(c2)OC)[O-])/C)[nH+]nc1c1ccc(cc1)Cl

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Molecular Weight: 459.96
Empirical Formula: C21H22ClN5O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.901
Rotatable bonds: 7
H-donors: 2
H-acceptors: 3
PSA: 131
Number of rings: 3

     

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