COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL186962
Chemical Name: 2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-oxoethylisoquinoline-1-carboxylate
Smiles: O=C(COC(=O)c1nccc2c1cccc2)NCCC1=CCCCC1

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Molecular Weight: 338.41
Empirical Formula: C20H22N2O3

Physical State: Dry powder
Available Amount: 78 mg

Lipinsky:
logP: 3.329
Rotatable bonds: 7
H-donors: 1
H-acceptors: 3
PSA: 68
Number of rings: 3

     

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