COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL159484
Chemical Name: 1-tert-butyl-4-(3-chloro-4-hydroxyphenyl)-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-ol
Smiles: OC1=Nc2c(C(SC1)c1ccc(c(c1)Cl)O)cnn2C(C)(C)C

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Molecular Weight: 351.86
Empirical Formula: C16H18ClN3O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.231
Rotatable bonds: 3
H-donors: 2
H-acceptors: 2
PSA: 95
Number of rings: 3

     

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