Register a new compound reviewing matches

When registering a compound, the user can have the possibility to review the matching compounds from the DB and register according to these. In the case of a non-exact match (e.g. tautomer or stereo match), the user can either accept the existing compound or register the compound as a new one.

Steps for registering a new compound:

Preliminary step:

• (1S)-1-phenylethan-1-ol is already registered

  1. Draw (1R)-1-phenylethan-1-ol

  2. Enter the LnbRef

  3. Turn ON the Advanced mode:

     Advanced mode Registration page

  4. Click on Find

  5. Inspect the Suggestion list. The lot to be registered is a "stereoisomer" (stereo match) of an already registered compound. You can either choose another structure for the lot to be registered or you can just leave the drawn (submitted) compound by choosing Continue with selected. The selected compound will appear on the canvas.

     Find: Suggestion list
     Register: Suggestion list

  6. Click on Register. The same Suggestion list appears.

  7. Choose Register selected if you want to register your structure as a new compound.

The successful registration is summarized in a window, where the allocated Ids are listed: PCN, CN and LN. The new lot will be registered under a new PCN, as a new version and as a first lot within the tree.

Click OK if you would like to continue the registration or click View Details to review the new/updated compound tree.