COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL148334
Chemical Name: 7-hydroxy-1-(pentan-3-yl)-4-(4-propoxyphenyl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Smiles: CCCOc1ccc(cc1)C1SCC(=Nc2c1c(=O)[nH]n2C(CC)CC)O

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Molecular Weight: 389.52
Empirical Formula: C20H27N3O3S

Physical State: Dry powder
Available Amount: 306 mg

Lipinsky:
logP: 4.785
Rotatable bonds: 6
H-donors: 2
H-acceptors: 3
PSA: 99
Number of rings: 3

     

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