COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL310409
Chemical Name: 7-hydroxy-4-[2-(2-phenylethoxy)phenyl]-1-(propan-2-yl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Smiles: OC1=Nc2c(C(SC1)c1ccccc1OCCc1ccccc1)c(=O)[nH]n2C(C)C

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Molecular Weight: 423.54
Empirical Formula: C23H25N3O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.539
Rotatable bonds: 6
H-donors: 2
H-acceptors: 3
PSA: 99
Number of rings: 4

     

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