COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL003496
Chemical Name: 4-(4-butoxyphenyl)-3-methyl-1-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Smiles: CCCCOc1ccc(cc1)C1SCC(=O)Nc2c1c(C)nn2c1ccccc1

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Molecular Weight: 407.54
Empirical Formula: C23H25N3O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.994
Rotatable bonds: 3
H-donors: 1
H-acceptors: 2
PSA: 81
Number of rings: 4

     

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