COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL112898
Chemical Name: methyl{[(7E)-7-benzylidene-3-cyano-4-(thiophen-3-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]sulfanyl}acetate
Smiles: COC(=O)CSc1nc2/C(=C/c3ccccc3)/CCc2c(c1C#N)c1cscc1

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Molecular Weight: 418.54
Empirical Formula: C23H18N2O2S2

Physical State: Dry powder
Available Amount: 47 mg

Lipinsky:
logP: 5.867
Rotatable bonds: 5
H-donors: 0
H-acceptors: 2
PSA: 116
Number of rings: 4

     

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