COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL314492
Chemical Name: 4-(2-bromophenyl)-7-hydroxy-1-(propan-2-yl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Smiles: OC1=Nc2c(C(SC1)c1ccccc1Br)c(=O)[nH]n2C(C)C

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Molecular Weight: 382.28
Empirical Formula: C15H16BrN3O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.516
Rotatable bonds: 3
H-donors: 2
H-acceptors: 2
PSA: 90
Number of rings: 3

     

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