COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL318796
Chemical Name: 4-(1,3-dimethyl-1H-pyrazol-4-yl)-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)c1cn(nc1C)C)c(=O)[nH]n2C(C)C

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Molecular Weight: 321.4
Empirical Formula: C14H19N5O2S

Physical State: Dry powder
Available Amount: 305 mg

Lipinsky:
logP: 1.153
Rotatable bonds: 3
H-donors: 2
H-acceptors: 2
PSA: 108
Number of rings: 3

     

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