COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK748014
Chemical Name: ethyl4-{[6-amino-3,5-dicyano-4-(thiophen-2-yl)pyridin-2-yl]sulfanyl}-3-oxobutanoate
Smiles: CCOC(=O)CC(=O)CSc1nc(N)c(c(c1C#N)c1cccs1)C#N

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Saltdata: (CH3)2NCHO (2:1)
Molecular Weight: 386.46
Empirical Formula: C17H14N4O3S2

Physical State: Dry powder
Available Amount: 29 mg

Lipinsky:
logP: 4.777
Rotatable bonds: 8
H-donors: 2
H-acceptors: 3
PSA: 183
Number of rings: 2

     

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