COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL408526
Chemical Name: 7-hydroxy-4-(3-phenyl-1H-pyrazol-4-yl)-1-(tetrahydro-2H-thiopyran-4-yl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Smiles: OC1=Nc2c(C(SC1)c1c[nH]nc1c1ccccc1)c(=O)[nH]n2C1CCSCC1

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Molecular Weight: 427.55
Empirical Formula: C20H21N5O2S2

Physical State: Dry powder
Available Amount: 302 mg

Lipinsky:
logP: 2.961
Rotatable bonds: 3
H-donors: 3
H-acceptors: 2
PSA: 144
Number of rings: 5

     

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