CID int64 19 166M | SMILES stringlengths 2 1.5k | description stringlengths 191 6.48k | sequence stringlengths 255 116k |
|---|---|---|---|
1,000 | C1=CC=C(C=C1)C(CN)O | This is a description of a molecule: The molecule is the simplest member of the class of phenylethanolamines that is 2-aminoethanol bearing a phenyl substituent at the 1-position. The parent of the phenylethanolamine class. It has a role as a human metabolite. It is a conjugate base of a phenylethanolaminium.
The molec... | <graph>g_82molecule#node#0#6molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0molecule#edge#1g_83molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_84molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#... |
10,001,590 | CC(=C)C(CC1=C2C(=C(C3=C1OC4=C(C3=O)C=C(C=C4)O)O)C=CC(O2)(C)C)OO | This is a description of a molecule: The molecule is a member of the class of pyranoxanthones that is 2H,6H-pyrano[3,2-b]xanthen-6-one substituted by a 2-hydroperoxy-3-methylbut-3-en-1-yl moiety at position 12, hydroxy groups at positions 5 and 8 and geminal methyl groups at position 2. It is isolated from the stem bar... | <graph>g_166molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0molecule#edge#1g_167molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#3molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_166molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node... |
100,018 | CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CCC4C3(CCC(C4(C)C)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)C)C)O)C)OC7C(C(C(C(O7)COC8C(C(C(O8)CO)O)O)O)O)O)C | This is a description of a molecule: The molecule is a steroid saponin.
The molecule is a natural product found in Panax ginseng and Panax quinquefolius with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_105molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0molecule#edge#1g_106molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_107molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node... |
10,001,844 | CC(=C)CC(C(=O)C1(CO1)CO)NC(=O)[C@H](CO)NC(=O)CCCCC(C)(C)O | This is a description of a molecule: The molecule is an epoxide that is oxiran-2-ylmethanol which is acylated at position 2 by N-(6-hydroxy-6-methylheptanoyl)-L-seryl-4-methylidenenorvalinyl group. It is a proteasome inhibitor isolated from Streptomyces. It has a role as a proteasome inhibitor, an antineoplastic agent,... | <graph>g_128molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0molecule#edge#1g_129molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_130molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node... |
10,004,345 | C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(C[C@H]([C@@]5([C@H]4CC(CC5)(C)C)CO)O)C)C)(C)C)O | This is a description of a molecule: The molecule is a pentacyclic triterpenoid that is oleanane containing a double bond between positions 12 and 13 and substituted by hydroxy groups at the 3beta, 16alpha and 28-positions. It derives from a hydride of an oleanane. Generate this molecule graph between <graph> </graph>:... | <graph>g_264molecule#node#0#5molecule#node#1#1molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0molecule#edge#1g_265molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_266molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node... |
10,007 | CC(C)(CC1=CC=C(C=C1)Cl)N | This is a description of a molecule: The molecule is a member of amphetamines.
A sympathomimetic agent that was formerly used as an anorectic. It has properties similar to those of dextroamphetamine. It has been implicated in lipid storage disorders and pulmonary hypertension. (From Martindale, The Extra Pharmacopoeia,... | <graph>g_214molecule#node#0#6molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0molecule#edge#1g_215molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_216molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node... |
10,007,022 | C[C@H]1C[C@H]2[C@@H]([C@@H]1CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)/C=C/C4=CC(=C(C=C4)O)O)O)O)O)[C@@H](C(=O)O2)CO | This is a description of a molecule: The molecule is a iridoid monoterpenoid isolated from the aerial parts of Verbena litoralis and shown to possess stimulating effects on nerve growth factor. It has a role as a metabolite and a nerve growth factor stimulator. It is an iridoid monoterpenoid, a monoterpene glycoside, a... | <graph>g_363molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0molecule#edge#1g_364molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_365molecule#node#0#5molecule#node#1#2molecule#node#2#5molecule#node... |
10,008,761 | CC(=O)NCCCCCN(C(=O)CCC(=O)NCCCCCN(C(=O)CCC(=O)NCCCCCN(C(=O)C)O)O)O | This is a description of a molecule: The molecule is an acyclic desferrioxamine that is the N-acetyl derivative of desferrioxamine B.
The molecule is a natural product found in Streptomyces albidoflavus, Streptomyces coelicolor, and other organisms with data available. Generate this molecule graph between <graph> </gra... | <graph>g_384molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0molecule#edge#1g_385molecule#node#0#6molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_386molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node... |
100,094 | C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)O)NC(=O)[C@H](CCC(=O)O)N | This is a description of a molecule: The molecule is a dipeptide composed of L-glutamic acid and L-tryptophan joined by a peptide linkage. It has a role as a metabolite, an immunomodulator, an angiogenesis modulating agent and an antineoplastic agent. It is functionally related to a L-glutamic acid and a L-tryptophan.
... | <graph>g_229molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0molecule#edge#1g_230molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_231molecule#node#0#5molecule#node#1#1molecule#node#2#5molecule#node... |
10,009,623 | C1CN2C/C(=C/CO)/[C@@H]3C[C@H]2[C@@]14[C@@H]5[C@H]3C=C(C(=O)N5C6=CC=CC=C46)[C@H]7C[C@@]89[C@H]1N7CC2=CCO[C@H]3CC(=O)N([C@H]8[C@H]3[C@H]2C1)C1=CC=CC=C91 | This is a description of a molecule: The molecule is a bisindole alkaloid with a strychnine substructure isolated from the roots of Strychnos icaja and has been shown to exhibit antiplasmodial activity. It has a role as a metabolite and an antiplasmodial drug. It is a bisindole alkaloid, a primary alcohol and a ring as... | <graph>g_242molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0molecule#edge#1g_243molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_244molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node... |
10,019,350 | C[C@@H]1CC[C@H]2[C@H]([C@H](O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C)OCCN)C | This is a description of a molecule: The molecule is an artemisinin derivative in which the lactone of (+)-artemisinin has been converted into the corresponding lactol 2-aminoethyl ether [beta (S) configuration at the new stereocentre]. It is an artemisinin derivative and a primary amino compound. Generate this molecul... | <graph>g_147molecule#node#0#5molecule#node#1#1molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0molecule#edge#1g_148molecule#node#0#5molecule#node#1#1molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_149molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node... |
10,021,147 | C[C@]1(C[C@@H](C2=C(C1)C(=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4O)O)O)O | This is a description of a molecule: The molecule is a member of the class of tetracenequinones that is 7,8,9,10-tetrahydrotetracene-5,12-dione carrying hydroxy groups at positions 1, 6, 8S, 10S and 11 and a methyl group at position 8S. It is the aglycone of komodoquinone A which was isolated from the marine bacterium ... | <graph>g_467molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0molecule#edge#1g_468molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_469molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node... |
10,021,867 | CCC(C)[C@@H](C(=O)NCCCC1=CN=C(N1)N)NC(=O)[C@@H]2[C@H](O2)C(=O)O | This is a description of a molecule: The molecule is a member of the class of guanidines isolated from the culture mycelium of the fungal strain Aphanoascus fulvescens and has been shown to exhibit inhibitory activity against cathepsin B and L. It has a role as a cathepsin B inhibitor, a cathepsin L (EC 3.4.22.15) inhi... | <graph>g_394molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0molecule#edge#1g_395molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#3molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_394molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node... |
10,022,829 | CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1O)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O | This is a description of a molecule: The molecule is an amino disaccharide consisting of beta-D-glucose linked via a (1->3)-glycosidic bond to N-acetyl-D-glucosamine. It is an amino disaccharide, a glucosamine oligosaccharide and a member of acetamides. Generate this molecule graph between <graph> </graph>: | <graph>g_299molecule#node#0#5molecule#node#1#1molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0molecule#edge#1g_300molecule#node#0#5molecule#node#1#2molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_301molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node... |
100,231 | CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@@H]6C7=CC(=C(C=C7CCN6C)OC)O3)OC)OC)OC | This is a description of a molecule: The molecule is a member of isoquinolines and a bisbenzylisoquinoline alkaloid.
The molecule is a natural product found in Berberis integerrima, Dehaasia incrassata, and other organisms with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_92molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0molecule#edge#1g_93molecule#node#0#5molecule#node#1#2molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_94molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#... |
10,024,043 | COC1=CC(=CC2=C1O[C@H]([C@@H]2CO)C3=CC(=C(C(=C3)OC)OC)OC)/C=C/CO | This is a description of a molecule: The molecule is a neolignan isolated from the stems of Sinocalamus affinis. It has a role as a plant metabolite. It is a member of benzofurans, a neolignan, a primary alcohol and a member of methoxybenzenes. Generate this molecule graph between <graph> </graph>: | <graph>g_129molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0molecule#edge#1g_130molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_131molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node... |
100,252 | C1=NC(=NN1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)N | This is a description of a molecule: The molecule is a 1-ribosyltriazole that is ribavirin in which the hydroxy group at the 5'-position is replaced by a phosphonooxy group. It is the active metabolite of the antiviral agent ribavirin. It has a role as a human blood serum metabolite, a drug metabolite, an antiviral age... | <graph>g_262molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0molecule#edge#1g_263molecule#node#0#5molecule#node#1#1molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_264molecule#node#0#5molecule#node#1#1molecule#node#2#5molecule#node... |
100,269 | CC1(O[C@@H]2[C@H](OC([C@@H]2O1)NC(=O)N(CCCl)N=O)COC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C | This is a description of a molecule: The molecule is a chloroethylamine derivative, with alkylating activity. Bofumustine alkylates DNA and forms DNA-DNA crosslinks, which result in the inhibition of DNA, RNA and protein synthesis and ultimately the induction of apoptosis. Generate this molecule graph between <graph> <... | <graph>g_10molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0molecule#edge#1g_11molecule#node#0#6molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_12molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#... |
100,274 | C(C[N+](=O)[O-])C(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC(=O)CC[N+](=O)[O-])OC(=O)CC[N+](=O)[O-])O)O | This is a description of a molecule: The molecule is a glycoside.
The molecule is a natural product found in Lotus uliginosus, Astragalus canadensis, and other organisms with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_44molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0molecule#edge#1g_45molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_46molecule#node#0#5molecule#node#1#1molecule#node#2#5molecule#node#3#... |
100,275 | C(C[N+](=O)[O-])C(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC(=O)CC[N+](=O)[O-])O)O)O | This is a description of a molecule: The molecule is a glycoside.
The molecule is a natural product found in Astragalus siliquosus, Lotus uliginosus, and other organisms with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_259molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0molecule#edge#1g_260molecule#node#0#5molecule#node#1#1molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_261molecule#node#0#5molecule#node#1#2molecule#node#2#5molecule#node... |
10,029,385 | C1CCN(CC1)C(=O)N2CCN3C=C(C4=CC(=CC(=C43)C2)F)C5=C(C(=O)NC5=O)C6=CN=C7N6C=CC=C7 | This is a description of a molecule: The molecule is a member of the class of diazepinoindoles that is 1,2,3,4-tetrahydro[1,4]diazepino[6,7,1-hi]indole substituted by piperidin-1-ylcarbonyl, 4-(imidazo[1,2-a]pyridin-3-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl and fluoro groups at position 2, 7 and 9, respectively. It is... | <graph>g_226molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0molecule#edge#1g_227molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_228molecule#node#0#8molecule#node#1#0molecule#node#2#5molecule#node... |
1,003 | OP(=O)(O)[O-] | This is a description of a molecule: The molecule is a monovalent inorganic anion that consists of phosphoric acid in which one of the three OH groups has been deprotonated. It is a monovalent inorganic anion and a phosphate ion. It is a conjugate base of a phosphoric acid. It is a conjugate acid of a hydrogenphosphate... | <graph>g_388molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0molecule#edge#1g_389molecule#node#0#14molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_390molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#nod... |
10,030,158 | CCCCC(C)/C=C(\C)/C=C/C(=O)NC1=C[C@]([C@@H](CC1=O)O)(/C=C/C=C/C=C/C(=O)NC2=C(CCC2=O)O)O | This is a description of a molecule: The molecule is a polyene antibiotic that is TMC-1A in which the 2,4-dimethyloct-2-enoyl group has been replaced by an (E,E)-4,6-dimethyldeca-2,4-dienoyl group. TMC-1C is an antitumour antibiotic isolated from Streptomyces sp. A-230. It has a role as an antineoplastic agent and a ba... | <graph>g_327molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0molecule#edge#1g_328molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_329molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node... |
100,308 | COC1=C([C@@H]([C@@](C=C1Br)(CC#N)O)O)Br | This is a description of a molecule: The molecule is a tertiary alcohol.
The molecule is a natural product found in Pseudoceratina durissima, Aplysina, and other organisms with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_107molecule#node#0#5molecule#node#1#1molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0molecule#edge#1g_108molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_109molecule#node#0#34molecule#node#1#0molecule#node#2#5molecule#nod... |
10,031,063 | C[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3CC[C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)C)OC(=O)C)OC)O | This is a description of a molecule: The molecule is a cardenolide glycoside that is the 2'-acetyl derivative of neriifolin. It has a role as an antineoplastic agent and a metabolite. It is a cardenolide glycoside, a monosaccharide derivative and an acetate ester. It is functionally related to a neriifolin.
The molecul... | <graph>g_250molecule#node#0#5molecule#node#1#2molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0molecule#edge#1g_251molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_252molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node... |
10,031,682 | CCC(=O)OC[C@@]1([C@H](CC[C@]2([C@H]1C[C@@H]([C@@]3([C@@H]2[C@H](C4=C(O3)C=C(OC4=O)C5=CN=CC=C5)O)C)OC(=O)C)C)OC(=O)CC)C | This is a description of a molecule: The molecule is a sesquiterpenoid that consists of a heterotetracyclic system linked to a pyridine moiety. Isolated from the fungus, Aspergillus fumigatus, it exhibits inhibitory activity against acyl-CoA:cholesterol acyltransferase 2. It has a role as an Aspergillus metabolite and ... | <graph>g_28molecule#node#0#5molecule#node#1#2molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0molecule#edge#1g_29molecule#node#0#5molecule#node#1#2molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_30molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#... |
100,335 | CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C3=NC4=CC=CC=C4N3C | This is a description of a molecule: The molecule is a chemical compound of antimony. Antimony is a metallic element with the chemical symbol Sb and atomic number 51. Small amounts of antimony are found in the earth's crust. (L741, L808) Generate this molecule graph between <graph> </graph>: | <graph>g_487molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0molecule#edge#1g_488molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_489molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node... |
10,037 | C=C=C | This is a description of a molecule: Propadiene, stabilized appears as a colorless flammable gas. May become unstable. Not toxic but asphyxiation may occur because of displacement of oxygen. Under prolonged exposure to fire or heat the containers may rupture violently and rocket.
The molecule is a member of allenes. Ge... | <graph>g_419molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0molecule#edge#1g_420molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_421molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node... |
10,037,425 | C1[C@@H]([C@H](S[C@H]1N2C=CC(=NC2=O)N)CO)O | This is a description of a molecule: The molecule is an orally bioavailable 4-thio modified 2-deoxycytidine analog, with potential antineoplastic activity. Upon administration of 4-thio-2-deoxycytidine (TdCyd), this cytidine analog gets incorporated into DNA during replication and inhibits the activity of DNA methyltra... | <graph>g_138molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0molecule#edge#1g_139molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_140molecule#node#0#6molecule#node#1#0molecule#node#2#5molecule#node... |
10,038 | C=C=O | This is a description of a molecule: The molecule is the manufacture of acetic anhydride, sorbic acid, cinnamic acids, chloroacetyl chloride and other materials. Readily polymerizes and cannot be shipped or stored. Is obtained instead as needed from diketene. DIKETENE (CAS: 674-82-8; Formula: C4H2O2 ) is a colorless ... | <graph>g_345molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0molecule#edge#1g_346molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_345molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node... |
10,040 | C(=S)(Cl)Cl | This is a description of a molecule: Thiophosgene appears as a reddish liquid. Boiling point 73.5 °C. A severe eye irritant. May severely burn skin on contact. Very toxic by inhalation and by skin absorption.
The molecule is a thiocarbonyl compound and a one-carbon compound. Generate this molecule graph between <graph>... | <graph>g_92molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0molecule#edge#1g_93molecule#node#0#15molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_92molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3... |
10,041,129 | CCSC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O | This is a description of a molecule: The molecule is a thioadenosine that is adenosine with the hydroxy group at C-5' substituted with an ethylthio (ethylsulfanyl) group. It has a role as a metabolite. It is functionally related to an adenosine.
The molecule is a natural product found in Trypanosoma brucei with data av... | <graph>g_191molecule#node#0#5molecule#node#1#2molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0molecule#edge#1g_192molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_193molecule#node#0#15molecule#node#1#0molecule#node#2#5molecule#nod... |
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