COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL251258
Chemical Name: 4-(7-hydroxy-3-methyl-4-phenyl-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-1-yl)benzoicacid
Smiles: OC1=Nc2c(C(SC1)c1ccccc1)c(nn2c1ccc(cc1)C(=O)O)C

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Molecular Weight: 379.44
Empirical Formula: C20H17N3O3S

Physical State: Dry powder
Available Amount: 314 mg

Lipinsky:
logP: 3.268
Rotatable bonds: 2
H-donors: 2
H-acceptors: 3
PSA: 113
Number of rings: 4

     

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