COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK562919
Chemical Name: 4-{(1Z)-1-[2-({[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)hydrazinylidene]propyl}phenolate
Smiles: CC/C(=N/NC(=O)CSc1[nH+]nc(n1c1ccc(cc1)OC)c1ccc(cc1)C(C)(C)C)/c1ccc(cc1)[O-]

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Molecular Weight: 543.69
Empirical Formula: C30H33N5O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 7.975
Rotatable bonds: 5
H-donors: 2
H-acceptors: 3
PSA: 131
Number of rings: 4

     

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