COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL157778
Chemical Name: 4-(2,4-dimethoxyphenyl)-1,3-dimethyl-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-ol
Smiles: COc1cc(OC)ccc1C1SCC(=Nc2c1c(C)nn2C)O

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Molecular Weight: 333.41
Empirical Formula: C16H19N3O3S

Physical State: Dry powder
Available Amount: 321 mg

Lipinsky:
logP: 1.354
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 94
Number of rings: 3

     

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