COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK950816
Chemical Name: 1-(4-methoxyphenyl)-2-{[5-(phenoxymethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
Smiles: COc1ccc(cc1)C(=O)CSc1nnc(n1CC=C)COc1ccccc1

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Molecular Weight: 395.48
Empirical Formula: C21H21N3O3S

Physical State: Dry powder
Available Amount: 98 mg

Lipinsky:
logP: 4.697
Rotatable bonds: 7
H-donors: 0
H-acceptors: 3
PSA: 91
Number of rings: 3

     

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