COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL237893
Chemical Name: 1,3-diphenyl-4-[4-(prop-2-en-1-yloxy)phenyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Smiles: C=CCOc1ccc(cc1)C1SCC(=O)Nc2c1c(nn2c1ccccc1)c1ccccc1

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Molecular Weight: 453.56
Empirical Formula: C27H23N3O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.903
Rotatable bonds: 2
H-donors: 1
H-acceptors: 2
PSA: 81
Number of rings: 5

     

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