COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL039626
Chemical Name: 2-{(E)-[2-({[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}-4-nitrophenolate
Smiles: O=C(CSc1[nH+]nc(n1C)c1cccc(c1)Cl)N/N=C/c1cc(ccc1[O-])[N+](=O)[O-]

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Molecular Weight: 446.87
Empirical Formula: C18H15ClN6O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.908
Rotatable bonds: 6
H-donors: 2
H-acceptors: 4
PSA: 167
Number of rings: 3

     

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