COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL510911
Chemical Name: (2Z)-2-{1-[(1S)-6-hydroxy-7-methoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl]ethylidene}-6,6-dimethylbicyclo[3.1.0]hexan-3-one
Smiles: COc1cc2c(cc1O)CCN([C@H]2C)/C(=C/1\C(=O)CC2C1C2(C)C)/C

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Molecular Weight: 341.45
Empirical Formula: C21H27NO3

Physical State: Dry powder
Available Amount: 304 mg

Lipinsky:
logP: 3.453
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 49
Number of rings: 4

     

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