COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK547529
Chemical Name: methyl6-amino-5-cyano-2-{[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]methyl}-4-(2-fluoro-5-methoxyphenyl)-4H-pyran-3-carboxylate
Smiles: COc1ccc(c(c1)C1C(=C(CSc2nc3CCCCCc3cc2C#N)OC(=C1C#N)N)C(=O)OC)F

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Molecular Weight: 520.58
Empirical Formula: C27H25FN4O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.085
Rotatable bonds: 7
H-donors: 2
H-acceptors: 4
PSA: 156
Number of rings: 4

     

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