COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK563983
Chemical Name: (2-{(Z)-[2-({[5-(4-tert-butylphenyl)-4-ethyl-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}phenoxy)acetate
Smiles: CCn1c(SCC(=O)N/N=C\c2ccccc2OCC(=O)[O-])[nH+]nc1c1ccc(cc1)C(C)(C)C

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Molecular Weight: 495.6
Empirical Formula: C25H29N5O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.919
Rotatable bonds: 8
H-donors: 2
H-acceptors: 4
PSA: 148
Number of rings: 3

     

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