COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL269599
Chemical Name: 4-[4-amino-5-({2-[(3,4-dimethoxyphenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]-1-{2-[(3,4-dimethoxyphenyl)amino]-2-oxoethyl}pyridinium
Smiles: COc1cc(ccc1OC)NC(=O)CSc1nnc(n1N)c1cc[n+](cc1)CC(=O)Nc1ccc(c(c1)OC)OC

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Saltdata: Cl-
Molecular Weight: 580.64
Empirical Formula: C27H30N7O6S

Available Amount: 0 mg

Lipinsky:
logP: -1.274
Rotatable bonds: 8
H-donors: 4
H-acceptors: 6
PSA: 181
Number of rings: 4

     

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