COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL411101
Chemical Name: 4-[7-hydroxy-3-oxo-1-(tetrahydro-2H-thiopyran-4-yl)-2,3,4,6-tetrahydro-1H-pyrazolo[3,4-e][1,4]thiazepin-4-yl]benzoicacid
Smiles: OC1=Nc2c(C(SC1)c1ccc(cc1)C(=O)O)c(=O)[nH]n2C1CCSCC1

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Molecular Weight: 405.5
Empirical Formula: C18H19N3O4S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.631
Rotatable bonds: 3
H-donors: 3
H-acceptors: 4
PSA: 152
Number of rings: 4

     

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