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Adding OSM-S-41 through -50 to the Master Google List #322

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mattodd opened this issue Jul 14, 2015 · 4 comments
Closed

Adding OSM-S-41 through -50 to the Master Google List #322

mattodd opened this issue Jul 14, 2015 · 4 comments

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@mattodd
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mattodd commented Jul 14, 2015

Background: We're shifting away from the Experimental Procedures lab notebook as a repository of all molecule data and towards using a Google Sheet and the cheminfo platform for visualisation. That means we need to include all OSM compounds in the sheet, retrospectively.

@martina-y Following on from Sebastien's earlier data entry #314 and current effort in #318 could you please add in compounds OSM-S-41 through 50 to the sheet? The collected data in the ELN are here.

Don't worry about synthetic and biological data for now. For the moment we just need data in columns A to F (column A if there is an MMV number listed for the compound anywhere). All these compounds belong to "Series 1"

Thanks Martina! By the way you need to accept the invitation I sent you to join the Core Contributing team so that I can assign stuff like this to you.

Once you're done with this we can close this Issue and do something else.

@martina-y
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Hi Mat,

I have done all of the compounds (OSM-S-41 through 50) for series one, however I could not fill out some of the information for OSM-S-43. I remember you mentioned that drawing the molecule on chemdraw will give me some of the information. I can't access chemdraw right now, but as soon as I do, I will put in the required information.

@mattodd
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mattodd commented Jul 21, 2015

OK, thanks, that's great work.

You know what? That structure for OSM-S-43 in the ELN is wrong - should be a cyano group not an alkyne. Tut tut. Here are the strings
CC(N1C2=CC=C(C(F)(F)F)C=C2)=C(/C=C3SC(N(CC#N)C4=CC=CC=C4)=NC\3=O)C=C1C

InChI=1S/C25H19F3N4OS/c1-16-14-18(17(2)32(16)21-10-8-19(9-11-21)25(26,27)28)15-22-23(33)30-24(34-22)31(13-12-29)20-6-4-3-5-7-20/h3-11,14-15H,13H2,1-2H3/b22-15-

ZNJGLEUSFVBSML-JCMHNJIXSA-N

Could you install these in the sheet, and then can you close this Issue?

So we have you on the team page, can you send me a picture of yourself that is 80x80 pixels?

@martina-y
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This is all done and can be closed.

@mattodd
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mattodd commented Jul 21, 2015

Thank you!

@mattodd mattodd closed this as completed Jul 21, 2015
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