COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL149017
Chemical Name: 1-cyclohexyl-7-hydroxy-4-(4-methylphenyl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Smiles: OC1=Nc2n([nH]c(=O)c2C(SC1)c1ccc(cc1)C)C1CCCCC1

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Molecular Weight: 357.48
Empirical Formula: C19H23N3O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.385
Rotatable bonds: 2
H-donors: 2
H-acceptors: 2
PSA: 90
Number of rings: 4

     

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