COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: BBL004077
Chemical Name: 4-{[4-cyclopropyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}but-2-yn-1-ol
Smiles: OCC#CCSc1nnc(n1C1CC1)c1ccc(cc1)C

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Molecular Weight: 299.4
Empirical Formula: C16H17N3OS

Physical State: Dry powder
Available Amount: 2069 mg

Lipinsky:
logP: 3.114
Rotatable bonds: 4
H-donors: 1
H-acceptors: 1
PSA: 76
Number of rings: 3

     

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