COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK057550
Chemical Name: methyl4-{(E)-[2-({[4,5-bis(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoate
Smiles: COC(=O)c1ccc(cc1)/C=N/NC(=O)CSc1nnc(n1c1ccc(cc1)C)c1ccc(cc1)C

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Molecular Weight: 499.59
Empirical Formula: C27H25N5O3S

Physical State: Dry powder
Available Amount: 409 mg

Lipinsky:
logP: 8.283
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 123
Number of rings: 4

     

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