COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL037579
Chemical Name: 1-(butan-2-yl)-7-hydroxy-4-(4-methylphenyl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Smiles: CCC(n1[nH]c(=O)c2c1N=C(O)CSC2c1ccc(cc1)C)C

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Molecular Weight: 331.44
Empirical Formula: C17H21N3O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.736
Rotatable bonds: 3
H-donors: 2
H-acceptors: 2
PSA: 90
Number of rings: 3

     

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