COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK124319
Chemical Name: methyl4-[({[4-benzyl-5-(4-{[(3-methylphenyl)carbonyl]amino}phenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
Smiles: COC(=O)c1ccc(cc1)NC(=O)CSc1nnc(n1Cc1ccccc1)c1ccc(cc1)NC(=O)c1cccc(c1)C

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Molecular Weight: 591.69
Empirical Formula: C33H29N5O4S

Physical State: Dry powder
Available Amount: 62 mg

Lipinsky:
logP: 7.649
Rotatable bonds: 6
H-donors: 2
H-acceptors: 4
PSA: 140
Number of rings: 5

     

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