COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK561764
Chemical Name: 4-(3,4-dimethoxyphenyl)-1-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-3-methyl-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-ol
Smiles: COc1cc(ccc1OC)C1SCC(=Nc2c1c(C)nn2C1CCOC(C1)(C)C)O

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Molecular Weight: 431.56
Empirical Formula: C22H29N3O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.574
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 103
Number of rings: 4

     

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