COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL334822
Chemical Name: ethyl6-amino-4-(4-tert-butylphenyl)-5-cyano-2-{[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]methyl}-4H-pyran-3-carboxylate
Smiles: CCOC(=O)C1=C(CSc2nc3CCCCCc3cc2C#N)OC(=C(C1c1ccc(cc1)C(C)(C)C)C#N)N

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Molecular Weight: 542.7
Empirical Formula: C31H34N4O3S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 7.263
Rotatable bonds: 6
H-donors: 2
H-acceptors: 3
PSA: 147
Number of rings: 4

     

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