COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK938411
Chemical Name: ethyl4-[(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-7-yl)sulfonyl]piperazine-1-carboxylate
Smiles: CCOC(=O)N1CCN(CC1)S(=O)(=O)c1ccc2c(c1)NC(=O)CCS2

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Molecular Weight: 399.49
Empirical Formula: C16H21N3O5S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 0.546
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 129
Number of rings: 3

     

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