COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL527989
Chemical Name: (1S,2Z,5R)-2-{1-[(2,5-dimethoxyphenyl)amino]ethylidene}-6,6-dimethylbicyclo[3.1.0]hexan-3-one
Smiles: COc1ccc(cc1N/C(=C/1\C(=O)C[C@@H]2[C@H]1C2(C)C)/C)OC

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Molecular Weight: 301.39
Empirical Formula: C18H23NO3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.103
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 47
Number of rings: 3

     

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