COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL410030
Chemical Name: 7-hydroxy-4-(quinolin-8-yl)-1-(tetrahydro-2H-pyran-4-yl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Smiles: OC1=Nc2c(C(SC1)c1cccc3c1nccc3)c(=O)[nH]n2C1CCOCC1

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Molecular Weight: 396.47
Empirical Formula: C20H20N4O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.893
Rotatable bonds: 3
H-donors: 2
H-acceptors: 3
PSA: 112
Number of rings: 5

     

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