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| ID | | Date | Severity | Status | Feedback |
| 10258953 |  | 18/05/2013 05:42:18 | Normal | New | price of 5mg of Picralinal, picrinine,Alschomine |
| 3553616 |  | 15/05/2013 05:30:52 | High | New | 2,2,2',2',4,4'-Hexamethyl-1,1',2,2',3,4-hexahydro-4,6'-biquinoline
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| 26638905 |  | 06/05/2013 10:40:19 | Normal | New | Clearly drawn as Z (which I suspect it isn't), should be a crossed = bond. Draw this and move all data to new record ?? |
| 7934 |  | 28/04/2013 03:27:30 | Normal | New | what is the different between MGK isomer a and MGK isomer b?
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| 12041 |  | 23/04/2013 11:11:32 | Normal | New | There are 5 MeSH data sources for this compound, 4 of which are incorrect in stronger or weaker points.
C076597 and C097386 are drug combinations containing cs:12041. D004917 is the correct link. D015643 is another derived compound, and D020312 is "Emu" (The bird, Dromaius novaehollandiae). |
| 3220 |  | 23/04/2013 09:52:51 | Normal | New | Looking at the two MeSH mesh:D005277 mesh:D020372, I see that Fenfluramin should be the R and Dexfenfluramin should be the R stereo-isomer. In ChemSpider, the undefined stereo-isomer links to both, and dexfenfluramin is also a separate compound named "adifax". |
| 455564 |  | 20/04/2013 20:40:23 | Normal | New | CAS # search of ChemSpider with 68989-02-6 retrieves carbanolate. A Google search of the same cas # retrieves a cationic detergent, Alkyl* dimethyl 3,4-dichlorobenzyl ammonium chloride *(63% C12, 23% C14, 14% C16)
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| 396933 |  | 20/04/2013 15:18:30 | Normal | New | Carbon-11? Is that a real thing?
Also, it's not labelled in the underlying molfile ==> bug. |
| 4574202 |  | 19/04/2013 10:21:26 | Normal | New | Thank you for your explanation on my earlier comment! Now that I understand the blue (II), I would like to point out that many of the PAHs I have checked give the same result. For example, the C16H9 pyrene radical (ID 16380885).
I do find it informative to see the name of the corresponding hydrogenated molecule, however the ChemSpider database therefore misleads the reader about MW and other properties.
I hope this is helpful. Joel. |
| 2923078 |  | 18/04/2013 07:45:45 | Normal | New | Why are the InChi's missing ?? |
| 13112637 |  | 14/04/2013 17:06:17 | Normal | New | Re http://cdsouthan.blogspot.se/2013/04/joining-in-with-post-acs-new-drug.html
This should now have MGL-3196 added. Cheers, Chris |
| 19970053 |  | 08/04/2013 21:19:10 | Normal | New | CAS 1005-39-6 is for 2-methylmercapto (methylthio)- thus record most likely for this compound which already exists on file |
| 29081 |  | 08/04/2013 17:52:59 | Normal | New | Very good...I will be using it in the future. Will love if you would include chemical compound formulas too. I see molecular compound formulas only and there is a difference. Thanks very much. |
| 66032 |  | 05/04/2013 08:03:10 | Normal | New | smiles are not correct |
| 13433819 |  | 28/03/2013 10:01:46 | Normal | New | this is a duplicate of ID#61366
The spelling is incorrect and the structure is displayed as a tautomeric form which this molecule has not been proven to adopt, either in crystal structure or in solution. |
| 17340096 |  | 28/03/2013 09:35:23 | Normal | New | Not sure if the previous feedback worked (no confirmation box?)
This looks like Acetochlor ESA Na salt - our smiles without Na is:
S(=O)(=O)(O)CC(=O)N(-c(c(cc1)C)c(c1)CC)COCC
But this isn't Alachlor ESA Na salt as indicated in synonyms - our smiles for Alachlor ESA is:
CCC1=CC=CC(CC)=C1N(COC)C(=O)CS(O)(=O)=O
and there is a N-Me-O-Me not N-Me-O-Et. |
| 17340096 | | 28/03/2013 09:29:03 | Normal | New | It looks like this compound is correctly labeled as Acetochlor ESA sodium salt; the smiles for Acetochlor ESA (according to our records) is
S(=O)(=O)(O)CC(=O)N(-c(c(cc1)C)c(c1)CC)COCC
But this is should not be labeled Alachlor ESA sodium salt as indicated; our SMILES for Alachlor ESA is
CCC1=CC=CC(CC)=C1N(COC)C(=O)CS(O)(=O)=O
There is a Me on the N-Me-O-Me, not a Et like Acetochlor. |
| 23257008 |  | 27/03/2013 19:40:38 | Normal | New | I suspect this structure is incorrect, should be
CC([C@@H](C(NC([C@@H]([C@@H]([C@H]([C@H](C(NC([C@H](C(C)C)C)=O)=O)Oc1ccc(C2=CSC=C2)cc1)O)O)O)=O)=O)C)C |
| 13798121 |  | 26/03/2013 06:40:58 | Normal | New | note to Dave sent to his EMail account |
| 24187224 |  | 25/03/2013 09:04:28 | Normal | New | I bet this is meant to be a benzene ring !! Another Molport malfunction ! |
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