COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL309654
Chemical Name: 1-benzyl-4-(4-hydroxy-3-methoxyphenyl)-3-methyl-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-ol
Smiles: COc1cc(ccc1O)C1SCC(=Nc2c1c(C)nn2Cc1ccccc1)O

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Molecular Weight: 395.48
Empirical Formula: C21H21N3O3S

Physical State: Dry powder
Available Amount: 136 mg

Lipinsky:
logP: 2.224
Rotatable bonds: 5
H-donors: 2
H-acceptors: 3
PSA: 105
Number of rings: 4

     

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