COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK995995
Chemical Name: 4-(6',7'-dimethoxy-1'H-spiro[cyclopentane-1,4'-isoquinolin]-2'(3'H)-yl)butan-2-one
Smiles: COc1cc2CN(CCC(=O)C)CC3(c2cc1OC)CCCC3

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Molecular Weight: 317.43
Empirical Formula: C19H27NO3

Physical State: Dry powder
Available Amount: 89 mg

Lipinsky:
logP: 3.308
Rotatable bonds: 5
H-donors: 0
H-acceptors: 3
PSA: 38
Number of rings: 3

     

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