COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL407881
Chemical Name: 4-(3-chloro-4-hydroxyphenyl)-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=Nc2c(C(SC1)c1ccc(c(c1)Cl)O)c(=O)[nH]n2C1CCOC(C1)(C)C

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Molecular Weight: 423.92
Empirical Formula: C19H22ClN3O4S

Physical State: Dry powder
Available Amount: 305 mg

Lipinsky:
logP: 2.88
Rotatable bonds: 4
H-donors: 3
H-acceptors: 4
PSA: 119
Number of rings: 4

     

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