COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK747507
Chemical Name: ethyl6-amino-5-cyano-2-{[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]methyl}-4-phenyl-4H-pyran-3-carboxylate
Smiles: CCOC(=O)C1=C(CSc2nc3CCCc3cc2C#N)OC(=C(C1c1ccccc1)C#N)N

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Saltdata: (CH3)2NCHO
Molecular Weight: 458.54
Empirical Formula: C25H22N4O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.446
Rotatable bonds: 6
H-donors: 2
H-acceptors: 3
PSA: 147
Number of rings: 4

     

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