 | | BKC | | Name: | Bongkrekic acid | | Formula: | C28 H38 O7 | | SMILES: | CO[CH](CC=CC=CCCC=CC[CH](C)C=CC(CC(O)=O)=CC(O)=O)C(C)=CC=C(C)C(O)=O | | InChi: | InChI=1S/C28H38O7/c1-21(15-18-24(19-26(29)30)20-27(31)32)13-11-9-7-5-6-8-10-12-14-25(35-4)22(2)16-17-23(3)28(33)34/h6,8-12,15-19,21,25H,5,7,13-14,20H2,1-4H3,(H,29,30)(H,31,32)(H,33,34)/b8-6+,11-9+,12-10-,18-15+,22-16-,23-17+,24-19+/t21-,25+/m0/s1 | | Synonyms: | Bongkrek acid | | Definition date: | 2018-04-17 | | Last modified: | 2021-03-01 | | Release date: | 2019-01-09 | | Identifier: | (2~{E},4~{Z},6~{R},8~{Z},10~{E},14~{E},17~{S},18~{E},20~{Z})-20-(2-hydroxy-2-oxoethyl)-6-methoxy-2,5,17-trimethyl-docosa-2,4,8,10,14,18,20-heptaenedioic acid |
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 | | BKM | | Name: | (2Z)-2-[(1R)-3-{[(2R,3S,4R,7S,8S,11S,13R,16E)-17-ethyl-4,8-dihydroxy-3,7,11,13-tetramethyl-6,15-dioxononadeca-16,18-dien-2-yl]oxy}-1-hydroxy-3-oxopropyl]-3-methylbut-2-enedioic acid | | Formula: | C33 H52 O11 | | SMILES: | C=[C@H]C(=[C@H]C(CC(CC(C)CCC(C(C)C(CC(O)C(C)C(C)OC(=O)CC(/C(C(O)=O)=C(/C(=O)O)C)O)=O)O)C)=O)CC | | InChi: | InChI=1S/C33H52O11/c1-9-24(10-2)15-25(34)14-19(4)13-18(3)11-12-26(35)21(6)28(37)16-27(36)20(5)23(8)44-30(39)17-29(38)31(33(42)43)22(7)32(40)41/h9,15,18-21,23,26-27,29,35-36,38H,1,10-14,16-17H2,2-8H3,(H,40,41)(H,42,43)/b24-15-,31-22-/t18-,19+,20+,21-,23+,26-,27+,29+/m0/s1 | | Synonyms: | Tautomycetin diacid form | | Definition date: | 2017-08-10 | | Last modified: | 2021-03-01 | | Release date: | 2017-11-29 | | Identifier: | (2Z)-2-[(1R)-3-{[(2R,3S,4R,7S,8S,11S,13R,16E)-17-ethyl-4,8-dihydroxy-3,7,11,13-tetramethyl-6,15-dioxononadeca-16,18-dien-2-yl]oxy}-1-hydroxy-3-oxopropyl]-3-methylbut-2-enedioic acid |
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 | | G9A | | Name: | (2E)-pent-2-enedioic acid | | Formula: | C5 H6 O4 | | SMILES: | O=C(O)C=CCC(=O)O | | InChi: | InChI=1S/C5H6O4/c6-4(7)2-1-3-5(8)9/h1-2H,3H2,(H,6,7)(H,8,9)/b2-1+ | | Synonyms: | Glutaconic acid | | Definition date: | 2014-08-12 | | Last modified: | 2021-03-01 | | Release date: | 2014-09-24 | | Identifier: | (2E)-pent-2-enedioic acid |
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 | | TAX | | Name: | (Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-PHENOXY]-N,N-DIMETHYLETHANAMINIUM | | Formula: | C26 H30 N O | | SMILES: | O(c1ccc(cc1)C(c2ccccc2)=C(c3ccccc3)CC)CC[NH+](C)C | | InChi: | InChI=1S/C26H29NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3/p+1/b26-25+ | | Synonyms: | CIS FORM OF TAMOXIFEN | | Definition date: | 2000-08-14 | | Last modified: | 2021-03-01 | | Identifier: | 2-{4-[(1E)-1,2-diphenylbut-1-en-1-yl]phenoxy}-N,N-dimethylethanaminium |
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 | | GKM | | Name: | 1-methylcyclopentyl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate | | Formula: | C39 H52 N6 O9 S | | SMILES: | C4CC(C(N6CC(Oc2nc1cc(OC)ccc1nc2C)CC6C(NC3(C(C3)C=CCCC4)C(NS(C5(C)CC5)(=O)=O)=O)=O)=O)NC(OC7(C)CCCC7)=O | | InChi: | InChI=1S/C39H52N6O9S/c1-24-33(41-30-20-26(52-4)14-15-28(30)40-24)53-27-21-31-32(46)43-39(35(48)44-55(50,51)38(3)18-19-38)22-25(39)12-8-6-5-7-9-13-29(34(47)45(31)23-27)42-36(49)54-37(2)16-10-11-17-37/h8,12,14-15,20,25,27,29,31H,5-7,9-11,13,16-19,21-23H2,1-4H3,(H,42,49)(H,43,46)(H,44,48)/b12-8-/t25-,27-,29+,31+,39-/m1/s1 | | Synonyms: | P4-3(AJ-74) | | Definition date: | 2018-05-24 | | Last modified: | 2021-03-01 | | Release date: | 2019-07-31 | | Identifier: | 1-methylcyclopentyl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate |
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 | | TOF | | Name: | 1,6-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione | | Formula: | C7 H7 N5 O2 | | SMILES: | O=C2N=C1C(=NC=NN1C)C(=O)N2C | | InChi: | InChI=1S/C7H7N5O2/c1-11-6(13)4-5(10-7(11)14)12(2)9-3-8-4/h3H,1-2H3 | | Synonyms: | Toxoflavin | | Definition date: | 2010-09-27 | | Last modified: | 2021-03-01 | | Identifier: | 1,6-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione |
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 | | UCM | | Name: | REL-(9R,12S)-9,10,11,12-TETRAHYDRO-9,12-EPOXY-1H-DIINDOLO[1,2,3-FG:3',2',1'-KL]PYRROLO[3,4-I][1,6]BENZODIAZOCINE-1,3(2H)-DIONE | | Formula: | C24 H15 N3 O3 | | SMILES: | O=C5c4c2c3n(c1ccccc12)C8OC(n6c3c(c4C(=O)N5)c7ccccc67)CC8 | | InChi: | InChI=1S/C24H15N3O3/c28-23-19-17-11-5-1-3-7-13(11)26-15-9-10-16(30-15)27-14-8-4-2-6-12(14)18(22(27)21(17)26)20(19)24(29)25-23/h1-8,15-16H,9-10H2,(H,25,28,29)/t15-,16+ | | Synonyms: | SB218078 | | Definition date: | 2003-02-13 | | Last modified: | 2021-03-01 | | Identifier: | (5R,8S)-5,6,7,8-tetrahydro-13H-5,8-epoxy-4b,8a,14-triazadibenzo[b,h]cycloocta[1,2,3,4-jkl]cyclopenta[e]-as-indacene-13,15(14H)-dione |
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 | | 9Y6 | | Name: | (2E)-3-phenylprop-2-enal | | Formula: | C9 H8 O | | SMILES: | c1cccc(c1)C=[C@H]C=O | | InChi: | InChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H/b7-4+ | | Synonyms: | Trans-Cinnamaldehyde | | Definition date: | 2018-08-29 | | Last modified: | 2021-03-01 | | Release date: | 2019-08-14 | | Identifier: | (2E)-3-phenylprop-2-enal |
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 | | 48U | | Name: | 4-[(3S)-3-({[(E)-2-(5-chlorothiophen-2-yl)ethenyl]sulfonyl}amino)-2-oxopyrrolidin-1-yl]-3-fluoro-N,N-dimethylbenzamide | | Formula: | C19 H19 Cl F N3 O4 S2 | | SMILES: | Clc3sc(/C=C/S(=O)(=O)NC2C(=O)N(c1ccc(C(=O)N(C)C)cc1F)CC2)cc3 | | InChi: | InChI=1S/C19H19ClFN3O4S2/c1-23(2)18(25)12-3-5-16(14(21)11-12)24-9-7-15(19(24)26)22-30(27,28)10-8-13-4-6-17(20)29-13/h3-6,8,10-11,15,22H,7,9H2,1-2H3/b10-8+/t15-/m0/s1 | | Synonyms: | GTC000101 | | Definition date: | 2015-02-13 | | Last modified: | 2021-03-01 | | Release date: | 2015-09-30 | | Identifier: | 4-[(3S)-3-({[(E)-2-(5-chlorothiophen-2-yl)ethenyl]sulfonyl}amino)-2-oxopyrrolidin-1-yl]-3-fluoro-N,N-dimethylbenzamide |
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 | | 49X | | Name: | (1R)-1,5-anhydro-1-{(1E,3S,4S,5R)-4,5-dihydroxy-3-[(8-phenyloctanoyl)amino]nonadec-1-en-1-yl}-D-galactitol | | Formula: | C39 H67 N O8 | | SMILES: | O=C(NC(/C=C/C1OC(CO)C(O)C(O)C1O)C(O)C(O)CCCCCCCCCCCCCC)CCCCCCCc2ccccc2 | | InChi: | InChI=1S/C39H67NO8/c1-2-3-4-5-6-7-8-9-10-11-14-20-25-32(42)36(44)31(27-28-33-37(45)39(47)38(46)34(29-41)48-33)40-35(43)26-21-15-12-13-17-22-30-23-18-16-19-24-30/h16,18-19,23-24,27-28,31-34,36-39,41-42,44-47H,2-15,17,20-22,25-26,29H2,1H3,(H,40,43)/b28-27+/t31-,32+,33+,34+,36-,37-,38-,39+/m0/s1 | | Synonyms: | GCK152 | | Definition date: | 2015-02-18 | | Last modified: | 2021-03-01 | | Release date: | 2015-05-27 | | Identifier: | (1R)-1,5-anhydro-1-{(1E,3S,4S,5R)-4,5-dihydroxy-3-[(8-phenyloctanoyl)amino]nonadec-1-en-1-yl}-D-galactitol |
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 | | 4DW | | Name: | N-{4-[2-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl}-L-glutamic acid | | Formula: | C20 H19 N5 O6 | | SMILES: | c1(ccc(cc1)C(=O)NC(C(O)=O)[C@H]=[C@H]C(=O)O)CCc2c3c(nc2)NC(=NC3=O)N | | InChi: | InChI=1S/C20H19N5O6/c21-20-24-16-15(18(29)25-20)12(9-22-16)6-3-10-1-4-11(5-2-10)17(28)23-13(19(30)31)7-8-14(26)27/h1-2,4-5,7-9,13H,3,6H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29)/b8-7+/t13-/m0/s1 | | Synonyms: | pemetrexed | | Definition date: | 2015-03-05 | | Last modified: | 2021-03-01 | | Release date: | 2015-12-16 | | Identifier: | (2E,4S)-4-({4-[2-(2-amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl}amino)pent-2-enedioic acid |
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 | | 4FE | | Name: | (2E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid | | Formula: | C10 H10 O4 | | SMILES: | O=C(O)C=Cc1ccc(OC)c(O)c1 | | InChi: | InChI=1S/C10H10O4/c1-14-9-4-2-7(6-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+ | | Synonyms: | 3-(3-HYDROXY-4-METHOXYPHENYL)-2-PROPENOIC ACID | | Definition date: | 2008-02-25 | | Last modified: | 2021-03-01 | | Identifier: | (2E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid |
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 | | FHC | | Name: | 2-FLUORO-3-(4-HYDROXYPHENYL)-2E-PROPENEOATE | | Formula: | C9 H6 F O3 | | SMILES: | [O-]C(=O)C(/F)=Cc1ccc(O)cc1 | | InChi: | InChI=1S/C9H7FO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-5,11H,(H,12,13)/p-1/b8-5+ | | Synonyms: | (E)-2-FLUORO-P-HYDROXYCINNAMATE | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | (2E)-2-fluoro-3-(4-hydroxyphenyl)prop-2-enoate |
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 | | FK5 | | Name: | 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN | | Formula: | C44 H69 N O12 | | SMILES: | O=C3C(=O)N1CCCCC1C(=O)OC(C(=C/C2CCC(O)C(OC)C2)/C)C(C)C(O)CC(=O)C(C=C(CC(CC(OC)C4OC3(O)C(C)CC4OC)C)C)CC=C | | InChi: | InChI=1S/C44H69NO12/c1-10-13-31-19-25(2)18-26(3)20-37(54-8)40-38(55-9)22-28(5)44(52,57-40)41(49)42(50)45-17-12-11-14-32(45)43(51)56-39(29(6)34(47)24-35(31)48)27(4)21-30-15-16-33(46)36(23-30)53-7/h10,19,21,26,28-34,36-40,46-47,52H,1,11-18,20,22-24H2,2-9H3/b25-19+,27-21+/t26-,28+,29+,30-,31+,32-,33+,34-,36+,37-,38-,39+,40+,44+/m0/s1 | | Synonyms: | K506 | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | (3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)-5,19-dihydroxy-3-{(E)-2-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-1-methylethenyl}-14,16-dimethoxy-4,10,12,18-tetramethyl-8-prop-2-en-1-yl-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-3H-15,19-epoxypyrido[2,1-c][1,4]oxazacyclotricosine-1,7,20,21(4H,23H)-tetrone |
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 | | 979 | | Name: | 5,6-DIPHENYL-N-(2-PIPERAZIN-1-YLETHYL)FURO[2,3-D]PYRIMIDIN-4-AMINE | | Formula: | C24 H25 N5 O | | SMILES: | n1c(c2c(nc1)oc(c2c3ccccc3)c4ccccc4)NCCN5CCNCC5 | | InChi: | InChI=1S/C24H25N5O/c1-3-7-18(8-4-1)20-21-23(26-13-16-29-14-11-25-12-15-29)27-17-28-24(21)30-22(20)19-9-5-2-6-10-19/h1-10,17,25H,11-16H2,(H,26,27,28) | | Synonyms: | FURANOPYRIDIMIDINE 1 | | Definition date: | 2007-01-12 | | Last modified: | 2021-03-01 | | Identifier: | 5,6-diphenyl-N-(2-piperazin-1-ylethyl)furo[2,3-d]pyrimidin-4-amine |
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 | | CGO | | Name: | sodium 3,3'-(1E,1'E)-biphenyl-4,4'-diylbis(diazene-2,1-diyl)bis(4-aminonaphthalene-1-sulfonate) | | Formula: | C32 H22 N6 Na2 O6 S2 | | SMILES: | [Na+][O-]S(=O)(=O)c5cc(/N=N/c1ccc(cc1)c4ccc(/N=N/c3c(c2ccccc2c(c3)S(=O)(=O)[O-][Na+])N)cc4)c(N)c6c5cccc6 | | InChi: | InChI=1S/C32H24N6O6S2.2Na/c33-31-25-7-3-1-5-23(25)29(45(39,40)41)17-27(31)37-35-21-13-9-19(10-14-21)20-11-15-22(16-12-20)36-38-28-18-30(46(42,43)44)24-6-2-4-8-26(24)32(28)34 | | Synonyms: | congo red | | Definition date: | 2011-04-21 | | Last modified: | 2021-03-01 | | Identifier: | mu-{3,3'-[biphenyl-4,4'-diyldi(E)diazene-2,1-diyl]bis(4-aminonaphthalene-1-sulfonato-kappaO)(2-)}disodium |
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 | | CRN | | Name: | N-[(E)-AMINO(IMINO)METHYL]-N-METHYLGLYCINE | | Formula: | C4 H9 N3 O2 | | SMILES: | O=C(O)CN(C(=[N@H])N)C | | InChi: | InChI=1S/C4H9N3O2/c1-7(4(5)6)2-3(8)9/h2H2,1H3,(H3,5,6)(H,8,9) | | Synonyms: | CREATINE | | Definition date: | 2003-12-30 | | Last modified: | 2021-03-01 | | Identifier: | N-carbamimidoyl-N-methylglycine |
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 | | 9LF | | Name: | (2S,12E,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)-21-(acetyloxy)-5,6,17,19-tetrahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,11-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-9-yl hydroxyacetate | | Formula: | C39 H49 N O14 | | SMILES: | COC1C(C(C(C(C(C(C(C=CC=C(C(Nc4c(c3c(c(c2OC(OC=C1)(C)C(c2c3c(c4)OC(=O)CO)=O)C)O)O)=O)C)C)O)C)O)C)OC(C)=O)C | | InChi: | InChI=1S/C39H49NO14/c1-17-11-10-12-18(2)38(49)40-24-15-26(53-27(43)16-41)28-29(34(24)47)33(46)22(6)36-30(28)37(48)39(8,54-36)51-14-13-25(50-9)19(3)35(52-23(7)42)21(5)32(45)20(4)31(17)44/h10-15,17,19-21,25,31-32,35,41,44-47H,16H2,1-9H3,(H,40,49)/b11-10+,14-13+,18-12+/t17-,19+,20+,21+,25-,31-,32+,35+,39-/m0/s1 | | Synonyms: | Rifamycin L | | Definition date: | 2018-05-24 | | Last modified: | 2021-03-01 | | Release date: | 2018-07-04 | | Identifier: | (2S,12E,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)-21-(acetyloxy)-5,6,17,19-tetrahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,11-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-9-yl hydroxyacetate |
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 | | D05 | | Name: | 6-(3,4-DIHYDROXYBENZYL)-3-ETHYL-1-(2,4,6-TRICHLOROPHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4(5H)-ONE | | Formula: | C20 H15 Cl3 N4 O3 | | SMILES: | Clc1cc(Cl)cc(Cl)c1n4nc(c2c4N=C(NC2=O)Cc3ccc(O)c(O)c3)CC | | InChi: | InChI=1S/C20H15Cl3N4O3/c1-2-13-17-19(27(26-13)18-11(22)7-10(21)8-12(18)23)24-16(25-20(17)30)6-9-3-4-14(28)15(29)5-9/h3-5,7-8,28-29H,2,6H2,1H3,(H,24,25,30) | | Synonyms: | DIN-232305 | | Definition date: | 2005-09-28 | | Last modified: | 2021-03-01 | | Identifier: | 6-(3,4-dihydroxybenzyl)-3-ethyl-1-(2,4,6-trichlorophenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one |
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 | | D7P | | Name: | D-PHENYLALANYL-N~5~-[(2,2-DIHYDROXYHYDRAZINO)(IMINO)METHYL]-D-ORNITHINAMIDE | | Formula: | C15 H25 N7 O4 | | SMILES: | O=C(N)C(NC(=O)C(N)Cc1ccccc1)CCCNC(=[N@H])NN(O)O | | InChi: | InChI=1S/C15H25N7O4/c16-11(9-10-5-2-1-3-6-10)14(24)20-12(13(17)23)7-4-8-19-15(18)21-22(25)26/h1-3,5-6,11-12,25-26H,4,7-9,16H2,(H2,17,23)(H,20,24)(H3,18,19,21)/t11-,12-/m1/s1 | | Synonyms: | D-PHENYLALANINE-D-NITROARGININE AMIDE | | Definition date: | 2003-12-18 | | Last modified: | 2021-03-01 | | Identifier: | D-phenylalanyl-N~5~-[(E)-(2,2-dihydroxyhydrazino)(imino)methyl]-D-ornithinamide |
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 | | KN9 | | Name: | N-[2-[[[3-(4'-Chlorophenyl)-2-propenyl]methylamino]methyl]phenyl]-N-(2-hydroxyethyl)-4'-methoxybenzenesulfonamide | | Formula: | C26 H29 Cl N2 O4 S | | SMILES: | CN(Cc1ccccc1N(CCO)S(c2ccc(OC)cc2)(=O)=O)CC=Cc3ccc(cc3)Cl | | InChi: | InChI=1S/C26H29ClN2O4S/c1-28(17-5-6-21-9-11-23(27)12-10-21)20-22-7-3-4-8-26(22)29(18-19-30)34(31,32)25-15-13-24(33-2)14-16-25/h3-16,30H,17-20H2,1-2H3/b6-5+ | | Synonyms: | N-[2-({[(2E)-3-(4-chlorophenyl)prop-2-en-1-yl](methyl)amino}methyl)phenyl]-N-(2-hydroxyethyl)-4-methoxybenzene-1-sulfonamide | | Definition date: | 2018-08-21 | | Last modified: | 2021-03-01 | | Release date: | 2019-08-28 | | Identifier: | N-[2-({[(2E)-3-(4-chlorophenyl)prop-2-en-1-yl](methyl)amino}methyl)phenyl]-N-(2-hydroxyethyl)-4-methoxybenzene-1-sulfonamide |
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 | | EDH | | Name: | N~1~-(1-propyl-1,3-dihydro-2H-benzimidazol-2-ylidene)benzene-1,3-dicarboxamide | | Formula: | C18 H18 N4 O2 | | SMILES: | C(c3cccc(C(=O)/N=C1Nc2c(N1CCC)cccc2)c3)(=O)N | | InChi: | InChI=1S/C18H18N4O2/c1-2-10-22-15-9-4-3-8-14(15)20-18(22)21-17(24)13-7-5-6-12(11-13)16(19)23/h3-9,11H,2,10H2,1H3,(H2,19,23)(H,20,21,24) | | Synonyms: | EDHS-206 | | Definition date: | 2017-05-17 | | Last modified: | 2021-03-01 | | Release date: | 2017-08-30 | | Identifier: | N~1~-(1-propyl-1,3-dihydro-2H-benzimidazol-2-ylidene)benzene-1,3-dicarboxamide |
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 | | FVX | | Name: | Fluvoxamine | | Formula: | C15 H21 F3 N2 O2 | | SMILES: | FC(F)(F)c1ccc(C(=NOCCN)CCCCOC)cc1 | | InChi: | InChI=1S/C15H21F3N2O2/c1-21-10-3-2-4-14(20-22-11-9-19)12-5-7-13(8-6-12)15(16,17)18/h5-8H,2-4,9-11,19H2,1H3/b20-14+ | | Synonyms: | 2-[({(1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene}amino)oxy]ethanamine | | Definition date: | 2012-04-23 | | Last modified: | 2021-03-01 | | Identifier: | 2-[({(1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene}amino)oxy]ethanamine |
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 | | LGN | | Name: | N-[(2S,3R,4E)-1-{[alpha-D-galactopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranosyl]oxy}-3-hydroxyoctadec-4-en-2-yl]hexacosanamide | | Formula: | C62 H117 N O18 | | SMILES: | O=C(NC(COC3OC(C(OC2OC(CO)C(O)C(OC1OC(CO)C(O)C(O)C1O)C2O)C(O)C3O)CO)C(O)/C=C/CCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCCC | | InChi: | InChI=1S/C62H117NO18/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-50(68)63-45(46(67)39-37-35-33-31-29-27-16-14-12-10-8-6-4-2)44-76-60-56(74)54(72)58(49(43-66)79-60)80-62-57(75)59(52(70)48(42-65)78-62)81-61-55(73)53(71)51(69)47(41-64)77-61/h37,39,45-49,51-62,64-67,69-75H,3-36,38,40-44H2,1-2H3,(H,63,68)/b39-37+/t45-,46+,47+,48+,49+,51-,52-,53-,54+,55+,56+,57+,58+,59-,60+,61+,62-/m0/s1 | | Synonyms: | Isoglobotrihexosylceramide | | Definition date: | 2011-05-13 | | Last modified: | 2021-03-01 | | Identifier: | N-[(2S,3R,4E)-1-{[alpha-D-galactopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranosyl]oxy}-3-hydroxyoctadec-4-en-2-yl]hexacosanamide |
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 | | LIH | | Name: | 6-([5-QUINOLYLAMINO]METHYL)-2,4-DIAMINO-5-METHYLPYRIDO[2,3-D]PYRIMIDINE | | Formula: | C18 H17 N7 | | SMILES: | n1cc(c(c2c1nc(nc2N)N)C)CNc4c3cccnc3ccc4 | | InChi: | InChI=1S/C18H17N7/c1-10-11(9-23-17-15(10)16(19)24-18(20)25-17)8-22-14-6-2-5-13-12(14)4-3-7-21-13/h2-7,9,22H,8H2,1H3,(H4,19,20,23,24,25) | | Synonyms: | SRI-9439 | | Definition date: | 2002-01-07 | | Last modified: | 2021-03-01 | | Identifier: | 5-methyl-6-[(quinolin-5-ylamino)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine |
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