COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK547718
Chemical Name: methyl6-amino-5-cyano-2-{[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]methyl}-4-[2-(trifluoromethyl)phenyl]-4H-pyran-3-carboxylate
Smiles: COC(=O)C1=C(CSc2nc3CCCCCc3cc2C#N)OC(=C(C1c1ccccc1C(F)(F)F)C#N)N

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Molecular Weight: 540.57
Empirical Formula: C27H23F3N4O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.615
Rotatable bonds: 6
H-donors: 2
H-acceptors: 3
PSA: 147
Number of rings: 4

     

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