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:

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    Advanced mode Registration page

  4. Click on Find

  5. Inspect the Match 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 compound.

    images/download/attachments/51036442/sugg1.png

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    Find: Match list

    Register: Match list

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

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

  8. Click on Proceed.

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.