COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL236519
Chemical Name: 4-(4-butoxyphenyl)-1-cyclopentyl-3-hydroxy-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Smiles: CCCCOc1ccc(cc1)C1SCC(=O)Nc2c1c(O)nn2C1CCCC1

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Molecular Weight: 401.53
Empirical Formula: C21H27N3O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.398
Rotatable bonds: 5
H-donors: 2
H-acceptors: 3
PSA: 101
Number of rings: 4

     

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