COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL148316
Chemical Name: 4-[({[4-(4-bromophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)amino]benzoate
Smiles: O=C(Nc1ccc(cc1)C(=O)[O-])CSc1[nH+]nc(n1c1ccc(cc1)Br)c1ccncc1

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Molecular Weight: 510.37
Empirical Formula: C22H16BrN5O3S

Physical State: Dry powder
Available Amount: 248 mg

Lipinsky:
logP: 5.798
Rotatable bonds: 3
H-donors: 2
H-acceptors: 3
PSA: 139
Number of rings: 4

     

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