COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL320583
Chemical Name: 4-[1-(2,4-difluorophenyl)-7-hydroxy-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-4-yl]benzoicacid
Smiles: Fc1ccc(c(c1)F)n1ncc2c1N=C(O)CSC2c1ccc(cc1)C(=O)O

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Molecular Weight: 401.39
Empirical Formula: C19H13F2N3O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.3
Rotatable bonds: 2
H-donors: 2
H-acceptors: 3
PSA: 113
Number of rings: 4

     

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