COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK685710
Chemical Name: 1-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-3-hydroxy-4-[4-methoxy-3-(methoxymethyl)phenyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Smiles: COCc1cc(ccc1OC)C1SCC(=O)Nc2c1c(O)nn2C1CCOC(C1)(C)C

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Molecular Weight: 447.56
Empirical Formula: C22H29N3O5S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.242
Rotatable bonds: 6
H-donors: 2
H-acceptors: 5
PSA: 120
Number of rings: 4

     

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