COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL411073
Chemical Name: 7-hydroxy-4-(quinolin-6-yl)-1-(tetrahydro-2H-thiopyran-4-yl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Smiles: OC1=Nc2c(C(SC1)c1ccc3c(c1)cccn3)c(=O)[nH]n2C1CCSCC1

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Molecular Weight: 412.54
Empirical Formula: C20H20N4O2S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.821
Rotatable bonds: 3
H-donors: 2
H-acceptors: 2
PSA: 128
Number of rings: 5

     

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