COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK013293
Chemical Name: methyl4-[({[4-cyclohexyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
Smiles: COC(=O)c1ccc(cc1)NC(=O)CSc1nnc(n1C1CCCCC1)c1cccnc1

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Molecular Weight: 451.55
Empirical Formula: C23H25N5O3S

Physical State: Dry powder
Available Amount: 602 mg

Lipinsky:
logP: 5.563
Rotatable bonds: 6
H-donors: 1
H-acceptors: 3
PSA: 124
Number of rings: 4

     

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