COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL310296
Chemical Name: 1-cyclopentyl-7-hydroxy-4-(3-hydroxy-4-methoxyphenyl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Smiles: COc1ccc(cc1O)C1SCC(=Nc2c1c(=O)[nH]n2C1CCCC1)O

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Molecular Weight: 375.45
Empirical Formula: C18H21N3O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.329
Rotatable bonds: 5
H-donors: 3
H-acceptors: 4
PSA: 119
Number of rings: 4

     

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