COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL351720
Chemical Name: 3-{[5-(4-bromophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one
Smiles: C=CCn1c(nnc1c1ccc(cc1)Br)SC1CCc2c(NC1=O)cccc2

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Molecular Weight: 455.38
Empirical Formula: C21H19BrN4OS

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.918
Rotatable bonds: 4
H-donors: 1
H-acceptors: 1
PSA: 85
Number of rings: 4

     

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