COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL324453
Chemical Name: ethyl4-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]-3-oxobutanoate
Smiles: CCOC(=O)CC(=O)CSc1nc2CCCCCc2cc1C#N

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Molecular Weight: 332.42
Empirical Formula: C17H20N2O3S

Physical State: Dry powder
Available Amount: 180 mg

Lipinsky:
logP: 4.477
Rotatable bonds: 7
H-donors: 0
H-acceptors: 3
PSA: 105
Number of rings: 2

     

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