COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL320606
Chemical Name: 4-(6-chloro-4H-1,3-benzodioxin-8-yl)-7-hydroxy-1-(propan-2-yl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Smiles: Clc1cc(c2c(c1)COCO2)C1SCC(=Nc2c1c(=O)[nH]n2C(C)C)O

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Molecular Weight: 395.87
Empirical Formula: C17H18ClN3O4S

Physical State: Dry powder
Available Amount: 304 mg

Lipinsky:
logP: 2.544
Rotatable bonds: 3
H-donors: 2
H-acceptors: 4
PSA: 108
Number of rings: 4

     

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