COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK776555
Chemical Name: 2-[(3-oxocyclohex-1-en-1-yl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carbonitrile
Smiles: N#Cc1c(NC2=CC(=O)CCC2)sc2c1CCCCCC2

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Molecular Weight: 300.42
Empirical Formula: C17H20N2OS

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.288
Rotatable bonds: 0
H-donors: 1
H-acceptors: 1
PSA: 81
Number of rings: 3

     

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