COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK635308
Chemical Name: methylN-{[2'-(2-methoxyethyl)-1'-oxo-1',4'-dihydro-2'H-spiro[cyclohexane-1,3'-isoquinolin]-4'-yl]carbonyl}-beta-alaninate
Smiles: COCCN1C(=O)c2ccccc2C(C21CCCCC2)C(=O)NCCC(=O)OC

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Molecular Weight: 402.49
Empirical Formula: C22H30N2O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.353
Rotatable bonds: 8
H-donors: 1
H-acceptors: 5
PSA: 84
Number of rings: 3

     

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