COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL003630
Chemical Name: 4-{[(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)sulfanyl]methyl}benzoicacid
Smiles: N#Cc1cc2CCCCCCc2nc1SCc1ccc(cc1)C(=O)O

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Molecular Weight: 352.46
Empirical Formula: C20H20N2O2S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 5.271
Rotatable bonds: 3
H-donors: 1
H-acceptors: 2
PSA: 99
Number of rings: 3

     

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