 | | TRL | | Name: | {1-[2-(1-FORMYL-PROPYL)-3-METHANESULFONYLAMINO-PYRROLIDINE-1-CARBONYL]-2-METHYL-PROPYL}-CARBAMIC ACID TERT-BUTYL ESTER | | Formula: | C19 H35 N3 O6 S | | SMILES: | O=C(N1CCC(NS(=O)(=O)C)C1C(C=O)CC)C(NC(=O)OC(C)(C)C)C(C)C | | InChi: | InChI=1S/C19H35N3O6S/c1-8-13(11-23)16-14(21-29(7,26)27)9-10-22(16)17(24)15(12(2)3)20-18(25)28-19(4,5)6/h11-16,21H,8-10H2,1-7H3,(H,20,25)/t13-,14+,15+,16-/m1/s1 | | Synonyms: | GW472467X | | Definition date: | 2002-11-01 | | Last modified: | 2024-09-27 | | Identifier: | tert-butyl [(1S)-1-({(2R,3S)-2-[(1S)-1-formylpropyl]-3-[(methylsulfonyl)amino]pyrrolidin-1-yl}carbonyl)-2-methylpropyl]carbamate |
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 | | 0UN | | Name: | N-{3-[(5-chloro-2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)oxy]phenyl}prop-2-enamide | | Formula: | C25 H27 Cl N6 O3 | | SMILES: | O=C(C=C)Nc4cccc(Oc1nc(ncc1Cl)Nc2ccc(cc2OC)N3CCN(C)CC3)c4 | | InChi: | InChI=1S/C25H27ClN6O3/c1-4-23(33)28-17-6-5-7-19(14-17)35-24-20(26)16-27-25(30-24)29-21-9-8-18(15-22(21)34-3)32-12-10-31(2)11-13-32/h4-9,14-16H,1,10-13H2,2-3H3,(H,28,33)(H,27,29,30) | | Definition date: | 2009-08-06 | | Last modified: | 2024-09-27 | | Identifier: | N-{3-[(5-chloro-2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)oxy]phenyl}prop-2-enamide |
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 | | 6L4 | | Name: | ~{N}-[2-[5-chloranyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]oxyphenyl]prop-2-enamide | | Formula: | C17 H15 Cl N6 O2 | | SMILES: | Cn1cc(Nc2ncc(Cl)c(Oc3ccccc3NC(=O)C=C)n2)cn1 | | InChi: | InChI=1S/C17H15ClN6O2/c1-3-15(25)22-13-6-4-5-7-14(13)26-16-12(18)9-19-17(23-16)21-11-8-20-24(2)10-11/h3-10H,1H2,2H3,(H,22,25)(H,19,21,23) | | Synonyms: | N-(2-((5-chloro-2-((1-methyl-1H-pyrazol-4-yl)amino)pyrimidin-4-yl)oxy)phenyl)acrylamide | | Definition date: | 2016-04-26 | | Last modified: | 2024-09-27 | | Release date: | 2017-02-15 | | Identifier: | ~{N}-[2-[5-chloranyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]oxyphenyl]prop-2-enamide |
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 | | OPP | | Name: | 1-[PYRROL-1-YL-2,5-DIONE-METHOXYMETHYL]-PYRROLE-2,5-DIONE | | Formula: | C10 H8 N2 O5 | | SMILES: | O=C1N(C(=O)C=C1)COCN2C(=O)C=CC2=O | | InChi: | InChI=1S/C10H8N2O5/c13-7-1-2-8(14)11(7)5-17-6-12-9(15)3-4-10(12)16/h1-4H,5-6H2 | | Definition date: | 2001-09-06 | | Last modified: | 2024-09-27 | | Identifier: | 1,1'-(oxydimethanediyl)bis(1H-pyrrole-2,5-dione) |
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 | | ILJ | | Name: | (E)-[7-azanyl-10-[2-carboxy-5-[2-[2-(6-chloranylhexoxy)ethoxy]ethylcarbamoyl]phenyl]-5,5-dimethyl-benzo[b][1]benzosilin-3-ylidene]-methyl-azanium | | Formula: | C34 H43 Cl N3 O5 Si | | SMILES: | C[NH+]=C1C=CC2=C(c3cc(ccc3C(O)=O)C(=O)NCCOCCOCCCCCCCl)c4ccc(N)cc4[Si](C)(C)C2=C1 | | InChi: | InChI=1S/C34H42ClN3O5Si/c1-37-25-10-13-28-31(22-25)44(2,3)30-21-24(36)9-12-27(30)32(28)29-20-23(8-11-26(29)34(40)41)33(39)38-15-17-43-19-18-42-16-7-5-4-6-14-35/h8-13,20-22H,4-7,14-19,36H2,1-3H3,(H,38,39)(H,40,41)/p+1/b37-25+ | | Synonyms: | HaloTag with TRaQ-G-ctrl ligand | | Definition date: | 2022-03-31 | | Last modified: | 2024-09-27 | | Release date: | 2023-02-01 | | Identifier: | (~{E})-[7-azanyl-10-[2-carboxy-5-[2-[2-(6-chloranylhexoxy)ethoxy]ethylcarbamoyl]phenyl]-5,5-dimethyl-benzo[b][1]benzosilin-3-ylidene]-methyl-azanium |
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 | | ND6 | | Name: | 6-[4-({4-[(2R)-1-hydroxypropan-2-yl]phenyl}acetyl)piperazin-1-yl]pyridazine-3-carbonitrile | | Formula: | C20 H23 N5 O2 | | SMILES: | O=C(Cc1ccc(cc1)C(C)CO)N1CCN(CC1)c1ccc(C#N)nn1 | | InChi: | InChI=1S/C20H23N5O2/c1-15(14-26)17-4-2-16(3-5-17)12-20(27)25-10-8-24(9-11-25)19-7-6-18(13-21)22-23-19/h2-7,15,26H,8-12,14H2,1H3/t15-/m0/s1 | | Definition date: | 2022-03-31 | | Last modified: | 2023-03-24 | | Release date: | 2023-03-29 | | Identifier: | 6-[4-({4-[(2R)-1-hydroxypropan-2-yl]phenyl}acetyl)piperazin-1-yl]pyridazine-3-carbonitrile |
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 | | TV3 | | Name: | [(1'R)-6'-hydroxy-1'-(4-{[(3R)-1-propylpyrrolidin-3-yl]methoxy}phenyl)-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone | | Formula: | C32 H36 N2 O3 | | SMILES: | CCCN1CCC(C1)COc1ccc(cc1)C1c2ccc(O)cc2CC2(CC2)N1C(=O)c1ccccc1 | | InChi: | InChI=1S/C32H36N2O3/c1-2-17-33-18-14-23(21-33)22-37-28-11-8-24(9-12-28)30-29-13-10-27(35)19-26(29)20-32(15-16-32)34(30)31(36)25-6-4-3-5-7-25/h3-13,19,23,30,35H,2,14-18,20-22H2,1H3/t23-,30-/m1/s1 | | Definition date: | 2022-07-28 | | Last modified: | 2022-11-04 | | Release date: | 2022-11-09 | | Identifier: | [(1'R)-6'-hydroxy-1'-(4-{[(3R)-1-propylpyrrolidin-3-yl]methoxy}phenyl)-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone |
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 | | UJG | | Name: | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-5-{7,8-dimethyl-2,4-dioxo-5-[(2R)-tetrahydrothiophen-2-yl]-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl}-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name) | | Formula: | C31 H41 N9 O15 P2 S | | SMILES: | P(=O)(O)(OCC1OC(C(C1O)O)n2cnc3c(N)ncnc23)OP(OCC(C(C(CN5c7c(N(C=4C(NC(NC=45)=O)=O)C6CCCS6)cc(C)c(C)c7)O)O)O)(=O)O | | InChi: | InChI=1S/C31H41N9O15P2S/c1-13-6-15-16(7-14(13)2)40(20-4-3-5-58-20)22-28(36-31(47)37-29(22)46)38(15)8-17(41)23(43)18(42)9-52-56(48,49)55-57(50,51)53-10-19-24(44)25(45)30(54-19)39-12-35-21-26(32)33-11-34-27(21)39/h6-7,11-12,17-20,23-25,30,41-45H,3-5,8-10H2,1-2H3,(H,48,49)(H,50,51)(H2,32,33,34)(H2,36,37,46,47)/t17-,18+,19+,20+,23-,24+,25+,30+/m0/s1 | | Definition date: | 2020-05-18 | | Last modified: | 2021-09-24 | | Release date: | 2021-09-29 | | Identifier: | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-5-{7,8-dimethyl-2,4-dioxo-5-[(2R)-tetrahydrothiophen-2-yl]-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl}-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name) |
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 | | N2O | | Name: | NITROUS OXIDE | | Formula: | N2 O | | SMILES: | [O-][N+]#N | | InChi: | InChI=1S/N2O/c1-2-3 | | Synonyms: | NITROGEN OXIDE | | Definition date: | 2006-09-20 | | Last modified: | 2021-03-01 | | Identifier: | nitrogen oxide |
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 | | QRQ | | Name: | 2-[2-(3,4,5-trimethoxyphenyl)ethyl]-1,3-benzothiazole | | Formula: | C18 H19 N O3 S | | SMILES: | COc1cc(CCc2sc3ccccc3n2)cc(OC)c1OC | | InChi: | InChI=1S/C18H19NO3S/c1-20-14-10-12(11-15(21-2)18(14)22-3)8-9-17-19-13-6-4-5-7-16(13)23-17/h4-7,10-11H,8-9H2,1-3H3 | | Definition date: | 2020-07-30 | | Last modified: | 2020-12-18 | | Release date: | 2020-12-23 | | Identifier: | 2-[2-(3,4,5-trimethoxyphenyl)ethyl]-1,3-benzothiazole |
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 | | 293 | | Name: | 2-deoxy-beta-L-galacto-heptopyranose | | Formula: | C7 H14 O6 | | SMILES: | OC1C(OC(O)CC1O)C(O)CO | | InChi: | InChI=1S/C7H14O6/c8-2-4(10)7-6(12)3(9)1-5(11)13-7/h3-12H,1-2H2/t3-,4+,5+,6+,7-/m1/s1 | | Synonyms: | (2S,4R,5S,6R)-6-((S)-1,2-dihydroxyethyl)tetrahydro-2H-pyran-2,4,5-triol | | Definition date: | 2007-11-09 | | Last modified: | 2020-07-17 | | Identifier: | 2-deoxy-beta-L-galacto-heptopyranose |
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 | | MFE | | Name: | ~{N}-[(4-chlorophenyl)methyl]quinazolin-4-amine | | Formula: | C15 H12 Cl N3 | | SMILES: | Clc1ccc(CNc2ncnc3ccccc23)cc1 | | InChi: | InChI=1S/C15H12ClN3/c16-12-7-5-11(6-8-12)9-17-15-13-3-1-2-4-14(13)18-10-19-15/h1-8,10H,9H2,(H,17,18,19) | | Definition date: | 2019-10-12 | | Last modified: | 2019-12-27 | | Release date: | 2020-01-01 | | Identifier: | ~{N}-[(4-chlorophenyl)methyl]quinazolin-4-amine |
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 | | 68G | | Name: | 13'2-hydroxyl-Chlorophyll a | | Formula: | C55 H72 Mg N4 O6 | | SMILES: | C(C=C(/C)CCCC(C)CCCC(C)CCCC(C)C)OC(=O)CCC2=C(C)C1=CC9=N8[Mg]56N1C2=C3C(C(=O)OC)(O)C(=O)C4=C(C)C(N5=C34)=Cc7n6c(c(c7CC)C)C=C8C(=C9C)CC | | InChi: | InChI=1S/C55H73N4O6.Mg/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)65-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)51(58-44)50-52-49(53(61)55(50,63)54(62)64-12)38(11)45(59-52)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42 | | Definition date: | 2016-02-17 | | Last modified: | 2019-05-22 | | Release date: | 2016-05-04 | | Identifier: | [methyl 9,14-diethyl-21-hydroxy-4,8,13,18-tetramethyl-20-oxo-3-{3-oxo-3-[(3,7,11,15-tetramethylhexadec-2-en-1-yl)oxy]propyl}-3,4,23,25-tetradehydro-24,26-dihydrophorbine-21-carboxylatato(2-)-kappa~4~N~23~,N~24~,N~25~,N~26~]magnesium |
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 | | BNW | | Name: | UDP-N-acetyl-muramic acid-4'phosphate | | Formula: | C20 H32 N3 O22 P3 | | SMILES: | C[CH](O[CH]1[CH](NC(C)=O)[CH](O[CH](CO)[CH]1O[P](O)(O)=O)O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O)C(O)=O | | InChi: | InChI=1S/C20H32N3O22P3/c1-7(18(29)30)40-16-12(21-8(2)25)19(42-9(5-24)15(16)43-46(32,33)34)44-48(37,38)45-47(35,36)39-6-10-13(27)14(28)17(41-10)23-4-3-11(26)22-20(23)31/h3-4,7,9-10,12-17,19,24,27-28H,5-6H2,1-2H3,(H,21,25)(H,29,30)(H,35,36)(H,37,38)(H,22,26,31)(H2,32,33,34)/t7-,9-,10-,12-,13-,14-,15-,16-,17-,19-/m1/s1 | | Definition date: | 2017-10-11 | | Last modified: | 2018-04-27 | | Release date: | 2018-05-02 | | Identifier: | (2~{R})-2-[(2~{R},3~{R},4~{R},5~{S},6~{R})-3-acetamido-2-[[[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-6-(hydroxymethyl)-5-phosphonooxy-oxan-4-yl]oxypropanoic acid |
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 | | 948 | | Name: | (1~{R},2~{S},3~{S},4~{R},5~{R},6~{R})-5-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3,4-triol | | Formula: | C7 H13 N O4 | | SMILES: | OC[CH]1[CH](O)[CH](O)[CH](O)[CH]2N[CH]12 | | InChi: | InChI=1S/C7H13NO4/c9-1-2-3-4(8-3)6(11)7(12)5(2)10/h2-12H,1H2/t2-,3+,4+,5+,6-,7-/m0/s1 | | Definition date: | 2017-04-17 | | Last modified: | 2017-08-04 | | Release date: | 2017-08-09 | | Identifier: | (1~{R},2~{S},3~{S},4~{R},5~{R},6~{R})-5-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3,4-triol |
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 | | 9CG | | Name: | 1H,3H-naphtho[1,8-cd]pyran-1-one | | Formula: | C12 H8 O2 | | SMILES: | c1ccc3C(=O)OCc2c3c1ccc2 | | InChi: | InChI=1S/C12H8O2/c13-12-10-6-2-4-8-3-1-5-9(7-14-12)11(8)10/h1-6H,7H2 | | Definition date: | 2017-04-19 | | Last modified: | 2017-04-21 | | Release date: | 2017-04-26 | | Identifier: | 1H,3H-naphtho[1,8-cd]pyran-1-one |
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 | | UZR | | Name: | 2'-deoxy-2'-triaza-1,2-dien-2-ium-1-yl-uridine-5'-monophosphate | | Formula: | C9 H13 N5 O8 P | | SMILES: | O=P(O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)C(N=[N+]=[N@H])C2O | | InChi: | InChI=1S/C9H12N5O8P/c10-13-12-6-7(16)4(3-21-23(18,19)20)22-8(6)14-2-1-5(15)11-9(14)17/h1-2,4,6-8,10,16H,3H2,(H2-,11,15,17,18,19,20)/p+1/t4-,6-,7-,8-/m1/s1 | | Definition date: | 2011-06-08 | | Last modified: | 2012-04-06 | | Identifier: | 2'-deoxy-2'-triaza-1,2-dien-2-ium-1-yluridine 5'-(dihydrogen phosphate) |
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 | | DKY | | Name: | 1-(3-deoxy-3-fluoro-beta-D-glucopyranosyl)-4-[(phenylcarbonyl)amino]pyrimidin-2(1H)-one | | Formula: | C17 H18 F N3 O6 | | SMILES: | OC[CH]1O[CH]([CH](O)[CH](F)[CH]1O)N2C=CC(=NC2=O)NC(=O)c3ccccc3 | | InChi: | InChI=1S/C17H18FN3O6/c18-12-13(23)10(8-22)27-16(14(12)24)21-7-6-11(20-17(21)26)19-15(25)9-4-2-1-3-5-9/h1-7,10,12-14,16,22-24H,8H2,(H,19,20,25,26)/t10-,12+,13-,14-,16-/m1/s1 | | Definition date: | 2010-01-12 | | Last modified: | 2011-06-04 | | Identifier: | N-[1-[(2R,3S,4S,5R,6R)-4-fluoro-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-2-oxo-pyrimidin-4-yl]benzamide |
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 | | CD3 | | Name: | CADMIUM ION, 3 WATERS COORDINATED | | Formula: | Cd H6 O3 | | SMILES: | O|[Cd++](|O)|O | | InChi: | InChI=1/Cd.3H2O/h | | Definition date: | 2002-09-04 | | Last modified: | 2008-10-14 |
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