COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK083564
Chemical Name: methyl{[3-cyano-4-(cyclohex-3-en-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]sulfanyl}acetate
Smiles: COC(=O)CSc1nc2CCCc2c(c1C#N)C1CCC=CC1

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Molecular Weight: 328.44
Empirical Formula: C18H20N2O2S

Physical State: Dry powder
Available Amount: 111 mg

Lipinsky:
logP: 3.937
Rotatable bonds: 5
H-donors: 0
H-acceptors: 2
PSA: 88
Number of rings: 3

     

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