COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL408543
Chemical Name: 4-cyclohexyl-1-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-7-hydroxy-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Smiles: OC1=Nc2n([nH]c(=O)c2C(SC1)C1CCCCC1)C1CCOC(C1)(C)C

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Molecular Weight: 379.52
Empirical Formula: C19H29N3O3S

Physical State: Dry powder
Available Amount: 306 mg

Lipinsky:
logP: 3.166
Rotatable bonds: 3
H-donors: 2
H-acceptors: 3
PSA: 99
Number of rings: 4

     

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