COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK565853
Chemical Name: 4-{(1Z)-1-[2-({[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)hydrazinylidene]ethyl}-2-methoxyphenolate
Smiles: COc1ccc(cc1)c1n[nH+]c(n1c1ccc(cc1)Cl)SCC(=O)N/N=C(\c1ccc(c(c1)OC)[O-])/C

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Molecular Weight: 538.03
Empirical Formula: C26H24ClN5O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.557
Rotatable bonds: 6
H-donors: 2
H-acceptors: 4
PSA: 140
Number of rings: 4

     

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