COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL543951
Chemical Name: methylN-[(2'-butyl-1'-oxo-1',4'-dihydro-2'H-spiro[cyclohexane-1,3'-isoquinolin]-4'-yl)carbonyl]-L-alaninate
Smiles: CCCCN1C(=O)c2ccccc2C(C21CCCCC2)C(=O)N[C@H](C(=O)OC)C

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Molecular Weight: 400.52
Empirical Formula: C23H32N2O4

Physical State: Dry powder
Available Amount: 306 mg

Lipinsky:
logP: 3.049
Rotatable bonds: 7
H-donors: 1
H-acceptors: 4
PSA: 75
Number of rings: 3

     

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