COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK779512
Chemical Name: 2-[(3-oxocyclohex-1-en-1-yl)amino]-4,5,6,7,8,8a-hexahydro-3aH-cyclohepta[b]thiophene-3-carbonitrile
Smiles: N#CC1=C(NC2=CC(=O)CCC2)SC2C1CCCCC2

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Molecular Weight: 288.41
Empirical Formula: C16H20N2OS

Physical State: Dry powder
Available Amount: 60 mg

Lipinsky:
logP: 2.371
Rotatable bonds: 0
H-donors: 1
H-acceptors: 1
PSA: 78
Number of rings: 3

     

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