Explore
Home 
Literature 
Links 
Posts 
Molecules 
Blogs 
Zeitgeist 
Markup Help 
News 

To have your blog items show up on this page, use the semantic markup for InChI's and SMILES, using microformats or RDFa. For example, write <span class="chem:smiles">CCCOC<span> instead of just CCCOC, or <span class="chem:inchi">InChI=1/bla<span> instead of InChI=1/bla.

imatinib
InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)
PubChem: 5291
[CML][RDF]

Posts

Since the advent of imatinib, kinase inhibitors have become a thing in drug discovery, with more than two dozen already approved. Indeed, kinases are the targets of more than a third of reported fragment-derived compounds to reach the clinic. Given that all...
ChlorpromazinePsychiatric drugs have always been a black box. The complexity of the brain has meant that most successful drugs for treating disorders like depression, psychosis and bipolar disorder were discovered by accident and trial and error rather than...
Everyone's favorite free encyclopedia - wikipedia, has started to get links to ChEMBL added. The links are all sorted out, now we just need a bot to go round and sort everything out for a large set of compounds. So, to give you some idea of how it will look,...
bortezomib
InChI=1S/C19H25BN4O4/c1-13(2)10-17(20(27)28)24-18(25)15(11-14-6-4-3-5-7-14)23-19(26)16-12-21-8-9-22-16/h3-9,12-13,15,17,27-28H,10-11H2,1-2H3,(H,23,26)(H,24,25)/t15-,17-/m0/s1
PubChem: -1
[RDF]

Posts

The other day I was having a discussion with a colleague about the drug Velcade which has been used quite successfully to treat multiple myeloma. Velcade is probably the only bestselling drug that has the element boron in it. Boron is a highly reactive element...
metformin
InChI=1S/C4H11N5/c1-9(2)4(7)8-3(5)6/h1-2H3,(H5,5,6,7,8)-N


PubChem: -1
[RDF]

Posts

The other day I was having a discussion with a colleague about the drug Velcade which has been used quite successfully to treat multiple myeloma. Velcade is probably the only bestselling drug that has the element boron in it. Boron is a highly reactive element...
carbonic acid
InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)
InChIKey=BVKZGUZCCUSVTD-UHFFFAOYSA
PubChem: 22639876
[RDF]

Posts

Lately we’ve been talking a lot about converting alcohols to good leaving groups [halides] [tosylates and mesylates] You might think we’d be done already, but not yet! In today’s post we talk about a third important method for converting alcohols...
neochlorogenic acid
InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14+,16-/m1/s1
InChIKey=CWVRJTMFETXNAD-NGZLMGFWSA
PubChem: 5280633
[RDF]

Posts

First, the recipe.Making sloe gin really is as easy as 1, 2, 3… it only requires three ingredients (a fourth is optional) and the particular ratio my recipe uses is 1:2:3 (sugar:sloes:gin). The recipe is easily scaled depending on the size of the container...
caffeic acid
InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+
InChIKey=QAIPRVGONGVQAS-NGZLMGFWSA
PubChem: 689043
[RDF]

Posts

First, the recipe.Making sloe gin really is as easy as 1, 2, 3… it only requires three ingredients (a fourth is optional) and the particular ratio my recipe uses is 1:2:3 (sugar:sloes:gin). The recipe is easily scaled depending on the size of the container...
InChI=1S/C27H30O15.ClH/c1-9-19(32)21(34)23(36)26(39-9)38-8-18-20(33)22(35)24(37)27(42-18)41-17-7-12-14(30)5-11(28)6-16(12)40-25(17)10-2-3-13(29)15(31)4-10;/h2-7,9,18-24,26-27,32-37H,8H2,1H3,(H3-,28,29,30,31);1H/t9-,18+,19-,20+,21+,22-,23+,24+,26+,27+;/m0.

Posts

First, the recipe.Making sloe gin really is as easy as 1, 2, 3… it only requires three ingredients (a fourth is optional) and the particular ratio my recipe uses is 1:2:3 (sugar:sloes:gin). The recipe is easily scaled depending on the size of the container...
quercetin
InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H
InChIKey=REFJWTPEDVJJIY-UHFFFAOYSA
PubChem: 5280343
[RDF]

Posts

First, the recipe.Making sloe gin really is as easy as 1, 2, 3… it only requires three ingredients (a fourth is optional) and the particular ratio my recipe uses is 1:2:3 (sugar:sloes:gin). The recipe is easily scaled depending on the size of the container...
chrysanthemin
InChI=1S/C21H20O11.ClH/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8;/h1-6,16-19,21-22,27-29H,7H2,(H3-,23,24,25,26);1H/t16-,17-,18+,19-,21-;/m1./s1
InChIKey=YTMNONATNXDQJF-COLDYULTSA
PubChem: 197081
[RDF]

Posts

First, the recipe.Making sloe gin really is as easy as 1, 2, 3… it only requires three ingredients (a fourth is optional) and the particular ratio my recipe uses is 1:2:3 (sugar:sloes:gin). The recipe is easily scaled depending on the size of the container...
peonidin-3-o-glucoside
InChI=1S/C22H22O11/c1-30-15-4-9(2-3-12(15)25)21-16(7-11-13(26)5-10(24)6-14(11)31-21)32-22-20(29)19(28)18(27)17(8-23)33-22/h2-7,17-20,22-23,27-29H,8H2,1H3,(H2-,24,25,26)/p+1/t17-,18-,19+,20-,22-/m1/s1Key: ZZWPMFROUHHAKY-OUUKCGNVSA-O
PubChem: 443654
[RDF]

Posts

First, the recipe.Making sloe gin really is as easy as 1, 2, 3… it only requires three ingredients (a fourth is optional) and the particular ratio my recipe uses is 1:2:3 (sugar:sloes:gin). The recipe is easily scaled depending on the size of the container...