COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL309304
Chemical Name: ethyl{7-hydroxy-3-methyl-4-[4-(methylsulfanyl)phenyl]-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-1-yl}acetate
Smiles: CCOC(=O)Cn1nc(c2c1N=C(O)CSC2c1ccc(cc1)SC)C

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Molecular Weight: 391.52
Empirical Formula: C18H21N3O3S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.761
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 127
Number of rings: 3

     

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