COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL152172
Chemical Name: 2-[4-(1-tert-butyl-7-hydroxy-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-4-yl)phenoxy]pyridine-3-carbonitrile
Smiles: N#Cc1cccnc1Oc1ccc(cc1)C1SCC(=Nc2c1cnn2C(C)(C)C)O

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Molecular Weight: 419.51
Empirical Formula: C22H21N5O2S

Physical State: Dry powder
Available Amount: 312 mg

Lipinsky:
logP: 2.656
Rotatable bonds: 2
H-donors: 1
H-acceptors: 2
PSA: 121
Number of rings: 4

     

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