COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL245064
Chemical Name: 4-(6-chloro-4H-1,3-benzodioxin-8-yl)-1-(propan-2-yl)-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-ol
Smiles: OC1=Nc2c(C(SC1)c1cc(Cl)cc3c1OCOC3)cnn2C(C)C

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Molecular Weight: 379.87
Empirical Formula: C17H18ClN3O3S

Physical State: Dry powder
Available Amount: 322 mg

Lipinsky:
logP: 1.861
Rotatable bonds: 3
H-donors: 1
H-acceptors: 3
PSA: 94
Number of rings: 4

     

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