COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL409910
Chemical Name: 1-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-7-hydroxy-4-[3-(pyridin-3-ylmethoxy)phenyl]-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Smiles: OC1=Nc2c(C(SC1)c1cccc(c1)OCc1cccnc1)c(=O)[nH]n2C1CCOC(C1)(C)C

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Molecular Weight: 480.59
Empirical Formula: C25H28N4O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.138
Rotatable bonds: 6
H-donors: 2
H-acceptors: 4
PSA: 121
Number of rings: 5

     

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