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 new compound.

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:

    images/download/attachments/51036442/reg_match.png

  4. Click on Register

  5. Inspect the Match list. The lot to be registered is a "2D" match (stereo match) of an already registered compound: CXN69.

    images/download/attachments/51036442/reg_match2.png

    Stereo matching structures (2D matches). The match actions are: Register as unique and Accept.

  6. Choose Register as unique if you want to register a new compound. Accept can be chosen if the user decides that the lot can be registered to an existing compound.

  7. 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 (CXN70) and new version (CXN70A) as a first lot within the tree (CXN70-001):

images/download/attachments/51036442/reg_match3.png