COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL038315
Chemical Name: 2,4-dibromo-6-{(E)-[2-({[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}phenolate
Smiles: O=C(CSc1[nH+]nc(n1c1ccccc1)c1ccc(cc1)C(C)(C)C)N/N=C/c1cc(Br)cc(c1[O-])Br

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Molecular Weight: 643.4
Empirical Formula: C27H25Br2N5O2S

Physical State: Dry powder
Available Amount: 215 mg

Lipinsky:
logP: 11.071
Rotatable bonds: 5
H-donors: 2
H-acceptors: 2
PSA: 121
Number of rings: 4

     

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