 | | B11 | | Name: | N-[3-(4-FLUOROPHENOXY)PHENYL]-4-[(2-HYDROXYBENZYL)AMINO]PIPERIDINE-1-SULFONAMIDE | | Formula: | C24 H26 F N3 O4 S | | SMILES: | O=S(=O)(Nc2cccc(Oc1ccc(F)cc1)c2)N4CCC(NCc3ccccc3O)CC4 | | InChi: | InChI=1S/C24H26FN3O4S/c25-19-8-10-22(11-9-19)32-23-6-3-5-21(16-23)27-33(30,31)28-14-12-20(13-15-28)26-17-18-4-1-2-7-24(18)29/h1-11,16,20,26-27,29H,12-15,17H2 | | Synonyms: | 4-(2-HYDROXYBENZYLAMINO)-N-(3-(4-FLUOROPHENOXY)PHENYL)PIPERIDINE-1-SULFONAMIDE | | Definition date: | 2005-06-27 | | Last modified: | 2021-03-01 | | Identifier: | N-[3-(4-fluorophenoxy)phenyl]-4-[(2-hydroxybenzyl)amino]piperidine-1-sulfonamide |
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 | | B1K | | Name: | (2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-[5-(4-methoxyphenyl)-1~{H}-1,2,4-triazol-3-yl]oxane-3,4,5-triol | | Formula: | C15 H19 N3 O6 | | SMILES: | COc1ccc(cc1)c2[nH]nc(n2)[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O | | InChi: | InChI=1S/C15H19N3O6/c1-23-8-4-2-7(3-5-8)14-16-15(18-17-14)13-12(22)11(21)10(20)9(6-19)24-13/h2-5,9-13,19-22H,6H2,1H3,(H,16,17,18)/t9-,10-,11+,12-,13-/m1/s1 | | Synonyms: | JLH270 | | Definition date: | 2017-09-05 | | Last modified: | 2021-03-01 | | Release date: | 2018-02-28 | | Identifier: | (2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-[5-(4-methoxyphenyl)-1~{H}-1,2,4-triazol-3-yl]oxane-3,4,5-triol |
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 | | B1R | | Name: | [(1,2,3,4,5-eta)-cyclopentadienyl][(1,2,3,4,5-eta)-{5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}cyclopentadienyl]ruthenium | | Formula: | C20 H16 N2 O2 Ru S | | SMILES: | O=C1NC2C(SCC2N1)CCCCC(=O)C3%10C%12=C%11C6=C3[Ru]4564789%10C5=C4C9C8=C57 | | InChi: | InChI=1S/C15H15N2O2S.C5H.Ru/c18-12(10-5-1-2-6-10)7-3-4-8-13-14-11(9-20-13)16-15(19)17-14 | | Synonyms: | biotinylruthenocene | | Definition date: | 2012-12-06 | | Last modified: | 2021-03-01 | | Release date: | 2013-08-14 | | Identifier: | [(1,2,3,4,5-eta)-cyclopentadienyl][(1,2,3,4,5-eta)-{5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}cyclopentadienyl]ruthenium |
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 | | B31 | | Name: | (2S)-4-amino-N-[(1R,2S,3R,4R,5S)-5-amino-4-[(2,6-diamino-2,6-dideoxy-alpha-D-glucopyranosyl)oxy]-2-hydroxy-3-(beta-D-xylofuranosyloxy)cyclohexyl]-2-hydroxybutanamide | | Formula: | C21 H41 N5 O12 | | SMILES: | O=C(NC3C(O)C(OC1OC(C(O)C1O)CO)C(OC2OC(CN)C(O)C(O)C2N)C(N)C3)C(O)CCN | | InChi: | InChI=1S/C21H41N5O12/c22-2-1-8(28)19(34)26-7-3-6(24)17(37-20-11(25)15(32)13(30)9(4-23)35-20)18(12(7)29)38-21-16(33)14(31)10(5-27)36-21/h6-18,20-21,27-33H,1-5,22-25H2,(H,26,34)/t6-,7+,8-,9+,10+,11+,12-,13+,14-,15+,16+,17+,18+,20+,21-/m0/s1 | | Synonyms: | Butirosin A | | Definition date: | 2009-05-10 | | Last modified: | 2021-03-01 | | Identifier: | (2S)-4-amino-N-[(1R,2S,3R,4R,5S)-5-amino-4-[(2,6-diamino-2,6-dideoxy-alpha-D-glucopyranosyl)oxy]-2-hydroxy-3-(beta-D-xylofuranosyloxy)cyclohexyl]-2-hydroxybutanamide |
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 | | OHL | | Name: | N-hydroxy-N~2~-[(4-methoxyphenyl)sulfonyl]-N~2~-(pyridin-4-ylmethyl)glycinamide | | Formula: | C15 H17 N3 O5 S | | SMILES: | O=S(=O)(N(Cc1ccncc1)CC(=O)NO)c2ccc(OC)cc2 | | InChi: | InChI=1S/C15H17N3O5S/c1-23-13-2-4-14(5-3-13)24(21,22)18(11-15(19)17-20)10-12-6-8-16-9-7-12/h2-9,20H,10-11H2,1H3,(H,17,19) | | Synonyms: | N-Hydroxy-2-(4-methoxy-N-(pyridine-3-ylmethyl)phenylsulfonamido)acetamide | | Definition date: | 2010-08-20 | | Last modified: | 2021-03-01 | | Identifier: | N-hydroxy-N~2~-[(4-methoxyphenyl)sulfonyl]-N~2~-(pyridin-4-ylmethyl)glycinamide |
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 | | B32 | | Name: | 5'-S-[2-(decylamino)ethyl]-5'-thioadenosine | | Formula: | C22 H38 N6 O3 S | | SMILES: | n2c1c(ncnc1n(c2)C3OC(C(O)C3O)CSCCNCCCCCCCCCC)N | | InChi: | InChI=1S/C22H38N6O3S/c1-2-3-4-5-6-7-8-9-10-24-11-12-32-13-16-18(29)19(30)22(31-16)28-15-27-17-20(23)25-14-26-21(17)28/h14-16,18-19,22,24,29-30H,2-13H2,1H3,(H2,23,25,26)/t16-,18-,19-,22-/m1/s1 | | Synonyms: | S-adenosyl-N-decyl-aminoethyl (SADAE) | | Definition date: | 2009-05-04 | | Last modified: | 2021-03-01 | | Identifier: | 5'-S-[2-(decylamino)ethyl]-5'-thioadenosine |
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 | | OIN | | Name: | (1R,5S)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL (2R)-3-HYDROXY-2-PHENYLPROPANOATE | | Formula: | C17 H23 N O3 | | SMILES: | O=C(OC2CC1N(C)C(CC1)C2)C(c3ccccc3)CO | | InChi: | InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15-,16-/m1/s1 | | Synonyms: | ATROPINE | | Definition date: | 2004-06-01 | | Last modified: | 2021-03-01 | | Identifier: | (3-exo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl (2S)-3-hydroxy-2-phenylpropanoate |
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 | | B40 | | Name: | (2S)-N-methyl-1-phenylpropan-2-amine | | Formula: | C10 H15 N | | SMILES: | N(C(Cc1ccccc1)C)C | | InChi: | InChI=1S/C10H15N/c1-9(11-2)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3/t9-/m0/s1 | | Synonyms: | Methamphetamine | | Definition date: | 2009-03-19 | | Last modified: | 2021-03-01 | | Identifier: | (2S)-N-methyl-1-phenylpropan-2-amine |
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 | | OJ2 | | Name: | 1-[2-(2-Hydroxy-ethyl)-phenyl]-3-(3-trifluoromethoxy-phenyl)-urea | | Formula: | C16 H15 F3 N2 O3 | | SMILES: | OCCc1ccccc1NC(=O)Nc2cccc(OC(F)(F)F)c2 | | InChi: | InChI=1S/C16H15F3N2O3/c17-16(18,19)24-13-6-3-5-12(10-13)20-15(23)21-14-7-2-1-4-11(14)8-9-22/h1-7,10,22H,8-9H2,(H2,20,21,23) | | Synonyms: | 1-[2-(2-hydroxyethyl)phenyl]-3-[3-(trifluoromethyloxy)phenyl]urea | | Definition date: | 2020-03-13 | | Last modified: | 2021-03-01 | | Release date: | 2020-10-14 | | Identifier: | 1-[2-(2-hydroxyethyl)phenyl]-3-[3-(trifluoromethyloxy)phenyl]urea |
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 | | B5L | | Name: | N~1~,N~1~,N~1~-tris(3-azaniumylpropyl)butane-1,4-diaminium | | Formula: | C13 H38 N5 | | SMILES: | C([N+](CCC[NH3+])(CCC[NH3+])CCC[NH3+])CCC[NH3+] | | InChi: | InChI=1S/C13H34N5/c14-6-1-2-10-18(11-3-7-15,12-4-8-16)13-5-9-17/h1-17H2/q+1/p+4 | | Synonyms: | N4-bis(aminopropyl)spermidine | | Definition date: | 2019-01-16 | | Last modified: | 2021-03-01 | | Release date: | 2019-06-26 | | Identifier: | N~1~,N~1~,N~1~-tris(3-azaniumylpropyl)butane-1,4-diaminium |
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 | | OL7 | | Name: | methyl [(1S)-1-cyclohexyl-2-{[(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]amino}-2-oxoethyl]carbamate | | Formula: | C42 H57 N7 O10 S | | SMILES: | C6(N3C(CC(Oc2c(nc1c(cc(OC)cc1)n2)C)C3)C(NC5(C(NS(C4(C)CC4)(=O)=O)=O)C(C5)C=CCCCCCC6NC(C(NC(OC)=O)C7CCCCC7)=O)=O)=O | | InChi: | InChI=1S/C42H57N7O10S/c1-25-37(45-32-21-28(57-3)17-18-30(32)43-25)59-29-22-33-35(50)47-42(39(53)48-60(55,56)41(2)19-20-41)23-27(42)15-11-6-5-7-12-16-31(38(52)49(33)24-29)44-36(51)34(46-40(54)58-4)26-13-9-8-10-14-26/h11,15,17-18,21,26-27,29,31,33-34H,5-10,12-14,16,19-20,22-24H2,1-4H3,(H,44,51)(H,46,54)(H,47,50)(H,48,53)/b15-11-/t27-,29-,31+,33+,34+,42-/m1/s1 | | Synonyms: | P4-P5-6 (NR03-68) | | Definition date: | 2019-06-28 | | Last modified: | 2021-03-01 | | Release date: | 2020-03-04 | | Identifier: | methyl [(1S)-1-cyclohexyl-2-{[(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]amino}-2-oxoethyl]carbamate |
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 | | OLC | | Name: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate | | Formula: | C21 H40 O4 | | SMILES: | O=C(OCC(O)CO)CCCCCCCC=C/CCCCCCCC | | InChi: | InChI=1S/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9-/t20-/m1/s1 | | Synonyms: | 1-Oleoyl-R-glycerol | | Definition date: | 2008-05-22 | | Last modified: | 2021-03-01 | | Identifier: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate |
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 | | OLJ | | Name: | (1R,3r,5S)-bicyclo[3.1.0]hexan-3-yl [(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 H50 N6 O9 S | | SMILES: | C5(N1C(CC(C1)Oc3nc2c(ccc(c2)OC)nc3C)C(=O)NC8(C(NS(C4(CC4)C)(=O)=O)=O)C(C=CCCCCCC5NC(=O)OC6CC7C(C6)C7)C8)=O | | InChi: | InChI=1S/C39H50N6O9S/c1-22-34(41-31-18-26(52-3)11-12-29(31)40-22)53-28-19-32-33(46)43-39(36(48)44-55(50,51)38(2)13-14-38)20-25(39)9-7-5-4-6-8-10-30(35(47)45(32)21-28)42-37(49)54-27-16-23-15-24(23)17-27/h7,9,11-12,18,23-25,27-28,30,32H,4-6,8,10,13-17,19-21H2,1-3H3,(H,42,49)(H,43,46)(H,44,48)/b9-7-/t23-,24+,25-,27+,28-,30+,32+,39-/m1/s1 | | Synonyms: | P4-7 (NR03-77) | | Definition date: | 2019-06-28 | | Last modified: | 2021-03-01 | | Release date: | 2020-03-04 | | Identifier: | (1R,3r,5S)-bicyclo[3.1.0]hexan-3-yl [(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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 | | OLN | | Name: | (S)-2-ACETAMIDO-5-UREIDOPENTANOIC ACID | | Formula: | C8 H15 N3 O4 | | SMILES: | O=C(O)C(NC(=O)C)CCCNC(=O)N | | InChi: | InChI=1S/C8H15N3O4/c1-5(12)11-6(7(13)14)3-2-4-10-8(9)15/h6H,2-4H2,1H3,(H,11,12)(H,13,14)(H3,9,10,15)/t6-/m0/s1 | | Synonyms: | N-ACETYL-L-CITRULLINE | | Definition date: | 2005-01-10 | | Last modified: | 2021-03-01 | | Identifier: | N~2~-acetyl-N~5~-carbamoyl-L-ornithine |
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 | | 7Z1 | | Name: | (2~{R})-2-[(1-azanylisoquinolin-6-yl)amino]-2-(5-ethoxy-2-fluoranyl-phenyl)-1-[(2~{R})-2-phenylpyrrolidin-1-yl]ethanone | | Formula: | C29 H29 F N4 O2 | | SMILES: | CCOc1ccc(F)c(c1)[CH](Nc2ccc3c(N)nccc3c2)C(=O)N4CCC[CH]4c5ccccc5 | | InChi: | InChI=1S/C29H29FN4O2/c1-2-36-22-11-13-25(30)24(18-22)27(33-21-10-12-23-20(17-21)14-15-32-28(23)31)29(35)34-16-6-9-26(34)19-7-4-3-5-8-19/h3-5,7-8,10-15,17-18,26-27,33H,2,6,9,16H2,1H3,(H2,31,32)/t26-,27-/m1/s1 | | Synonyms: | 2-[(1-aminoisoquinolin-6-yl)amino]-2-(5-ethoxy-2-fluorophenyl)-1-(2-phenylpyrrolidin-1-yl)ethanone | | Definition date: | 2016-12-13 | | Last modified: | 2021-03-01 | | Release date: | 2017-06-21 | | Identifier: | (2~{R})-2-[(1-azanylisoquinolin-6-yl)amino]-2-(5-ethoxy-2-fluoranyl-phenyl)-1-[(2~{R})-2-phenylpyrrolidin-1-yl]ethanone |
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 | | OLW | | Name: | 3-[({2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}amino)methyl]benzonitrile | | Formula: | C17 H16 N6 | | SMILES: | N#Cc1cccc(c1)CNCCc2nc(ncc2)n3ccnc3 | | InChi: | InChI=1S/C17H16N6/c18-11-14-2-1-3-15(10-14)12-19-6-4-16-5-7-21-17(22-16)23-9-8-20-13-23/h1-3,5,7-10,13,19H,4,6,12H2 | | Synonyms: | 2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]-N-(3-cyanobenzyl)ethan-1-amine | | Definition date: | 2014-10-21 | | Last modified: | 2021-03-01 | | Release date: | 2014-12-24 | | Identifier: | 3-[({2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}amino)methyl]benzonitrile |
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 | | OLY | | Name: | methyl (1-{[(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methyl-5,8-dihydroquinoxalin-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]carbamoyl}cyclopentyl)carbamate | | Formula: | C40 H55 N7 O10 S | | SMILES: | C1(C(CCCCCC=CC6C(NC(C2N1CC(C2)Oc3c(C)nc4c(n3)CC(OC)=CC4)=O)(C(NS(C5(CC5)C)(=O)=O)=O)C6)NC(=O)C7(NC(=O)OC)CCCC7)=O | | InChi: | InChI=1S/C40H55N7O10S/c1-24-33(42-30-20-26(55-3)14-15-28(30)41-24)57-27-21-31-32(48)44-40(36(51)46-58(53,54)38(2)18-19-38)22-25(40)12-8-6-5-7-9-13-29(34(49)47(31)23-27)43-35(50)39(16-10-11-17-39)45-37(52)56-4/h8,12,14,25,27,29,31H,5-7,9-11,13,15-23H2,1-4H3,(H,43,50)(H,44,48)(H,45,52)(H,46,51)/b12-8-/t25-,27-,29+,31+,40-/m1/s1 | | Synonyms: | P4-P5-5 (WK-25) | | Definition date: | 2019-06-28 | | Last modified: | 2021-03-01 | | Release date: | 2020-03-04 | | Identifier: | methyl (1-{[(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methyl-5,8-dihydroquinoxalin-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]carbamoyl}cyclopentyl)carbamate |
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 | | OMD | | Name: | 2-(3,6-DIHYDROXYPHENYL)ACETIC ACID | | Formula: | C8 H8 O4 | | SMILES: | O=C(O)Cc1cc(O)ccc1O | | InChi: | InChI=1S/C8H8O4/c9-6-1-2-7(10)5(3-6)4-8(11)12/h1-3,9-10H,4H2,(H,11,12) | | Synonyms: | HOMOGENTISIC ACID | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | (2,5-dihydroxyphenyl)acetic acid |
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 | | OMS | | Name: | 1-methylcyclobutyl [(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: | C38 H50 N6 O9 S | | SMILES: | C1(C(CCCCCC=CC6C(NC(C2N1CC(C2)Oc4nc3c(ccc(c3)OC)nc4C)=O)(C(NS(C5(CC5)C)(=O)=O)=O)C6)NC(=O)OC7(C)CCC7)=O | | InChi: | InChI=1S/C38H50N6O9S/c1-23-32(40-29-19-25(51-4)13-14-27(29)39-23)52-26-20-30-31(45)42-38(34(47)43-54(49,50)37(3)17-18-37)21-24(38)11-8-6-5-7-9-12-28(33(46)44(30)22-26)41-35(48)53-36(2)15-10-16-36/h8,11,13-14,19,24,26,28,30H,5-7,9-10,12,15-18,20-22H2,1-4H3,(H,41,48)(H,42,45)(H,43,47)/b11-8-/t24-,26-,28+,30+,38-/m1/s1 | | Synonyms: | P4-2 (NR02-61) | | Definition date: | 2019-06-28 | | Last modified: | 2021-03-01 | | Release date: | 2020-03-04 | | Identifier: | 1-methylcyclobutyl [(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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 | | 801 | | Name: | 2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}PYRIDIN-3-OLATE | | Formula: | C13 H11 N5 O | | SMILES: | [O-]c3cccnc3c2nc1cc(ccc1n2)C(=[NH2+])N | | InChi: | InChI=1S/C13H11N5O/c14-12(15)7-3-4-8-9(6-7)18-13(17-8)11-10(19)2-1-5-16-11/h1-6,19H,(H3,14,15)(H,17,18) | | Synonyms: | CRA_1801 | | Definition date: | 2003-03-14 | | Last modified: | 2021-03-01 | | Identifier: | 2-{5-[amino(iminio)methyl]-1H-benzimidazol-2-yl}pyridin-3-olate |
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 | | 802 | | Name: | 2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-4-FLUOROBENZENOLATE | | Formula: | C14 H11 F N4 O | | SMILES: | Fc3cc(c2nc1cc(ccc1n2)C(=[NH2+])N)c([O-])cc3 | | InChi: | InChI=1S/C14H11FN4O/c15-8-2-4-12(20)9(6-8)14-18-10-3-1-7(13(16)17)5-11(10)19-14/h1-6,20H,(H3,16,17)(H,18,19) | | Synonyms: | CRA_1802 | | Definition date: | 2003-03-14 | | Last modified: | 2021-03-01 | | Identifier: | 2-{5-[amino(iminio)methyl]-1H-benzimidazol-2-yl}-4-fluorophenolate |
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 | | OMV | | Name: | 1-ethylcyclopentyl [(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: | C40 H54 N6 O9 S | | SMILES: | C4(N1C(CC(C1)Oc3nc2c(ccc(c2)OC)nc3C)C(=O)NC6(C(C=CCCCCCC4NC(=O)OC5(CC)CCCC5)C6)C(NS(C7(CC7)C)(=O)=O)=O)=O | | InChi: | InChI=1S/C40H54N6O9S/c1-5-39(17-11-12-18-39)55-37(50)43-30-14-10-8-6-7-9-13-26-23-40(26,36(49)45-56(51,52)38(3)19-20-38)44-33(47)32-22-28(24-46(32)35(30)48)54-34-25(2)41-29-16-15-27(53-4)21-31(29)42-34/h9,13,15-16,21,26,28,30,32H,5-8,10-12,14,17-20,22-24H2,1-4H3,(H,43,50)(H,44,47)(H,45,49)/b13-9-/t26-,28-,30+,32+,40-/m1/s1 | | Synonyms: | P4-5 (NR01-97) | | Definition date: | 2019-06-28 | | Last modified: | 2021-03-01 | | Release date: | 2020-03-04 | | Identifier: | 1-ethylcyclopentyl [(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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 | | 804 | | Name: | 6-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-[4'-(1,4,5,6-tetrahydropyrimidin-2-yl)biphenyl-4-yl]-1H-indole | | Formula: | C28 H27 N5 | | SMILES: | N6=C(c1cc5c(cc1)cc(c4ccc(c3ccc(C2=NCCCN2)cc3)cc4)n5)NCCC6 | | InChi: | InChI=1S/C28H27N5/c1-13-29-27(30-14-1)22-9-5-20(6-10-22)19-3-7-21(8-4-19)25-17-23-11-12-24(18-26(23)33-25)28-31-15-2-16-32-28/h3-12,17-18,33H,1-2,13-16H2,(H,29,30)(H,31,32) | | Synonyms: | DB1804 | | Definition date: | 2011-09-29 | | Last modified: | 2021-03-01 | | Release date: | 2012-09-07 | | Identifier: | 6-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-[4'-(1,4,5,6-tetrahydropyrimidin-2-yl)biphenyl-4-yl]-1H-indole |
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 | | ON4 | | Name: | 1-methylcyclopropyl [(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: | C37 H48 N6 O9 S | | SMILES: | C5(N1C(CC(C1)Oc3nc2cc(OC)ccc2nc3C)C(=O)NC7(C(NS(C4(CC4)C)(=O)=O)=O)C(C=CCCCCCC5NC(=O)OC6(C)CC6)C7)=O | | InChi: | InChI=1S/C37H48N6O9S/c1-22-31(39-28-18-24(50-4)12-13-26(28)38-22)51-25-19-29-30(44)41-37(33(46)42-53(48,49)36(3)16-17-36)20-23(37)10-8-6-5-7-9-11-27(32(45)43(29)21-25)40-34(47)52-35(2)14-15-35/h8,10,12-13,18,23,25,27,29H,5-7,9,11,14-17,19-21H2,1-4H3,(H,40,47)(H,41,44)(H,42,46)/b10-8-/t23-,25-,27+,29+,37-/m1/s1 | | Synonyms: | P4-1 (NR02-24) | | Definition date: | 2019-06-28 | | Last modified: | 2021-03-01 | | Release date: | 2020-03-04 | | Identifier: | 1-methylcyclopropyl [(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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 | | ON9 | | Name: | 3-{1-[(2S,3S)-3-(4-acetyl-3,5-dimethoxyphenyl)-2-(2,3-dihydro-1H-inden-2-ylmethyl)-3-hydroxypropyl]-4-(methoxycarbonyl)-1H-pyrrol-3-yl}propanoic acid | | Formula: | C32 H37 N O8 | | SMILES: | CC(c1c(cc(cc1OC)C(C(CC2Cc3c(C2)cccc3)Cn4cc(CCC(=O)O)c(C(=O)OC)c4)O)OC)=O | | InChi: | InChI=1S/C32H37NO8/c1-19(34)30-27(39-2)14-24(15-28(30)40-3)31(37)25(13-20-11-21-7-5-6-8-22(21)12-20)17-33-16-23(9-10-29(35)36)26(18-33)32(38)41-4/h5-8,14-16,18,20,25,31,37H,9-13,17H2,1-4H3,(H,35,36)/t25-,31+/m0/s1 | | Synonyms: | ONO-9910539 | | Definition date: | 2015-03-31 | | Last modified: | 2021-03-01 | | Release date: | 2015-06-03 | | Identifier: | 3-{1-[(2S,3S)-3-(4-acetyl-3,5-dimethoxyphenyl)-2-(2,3-dihydro-1H-inden-2-ylmethyl)-3-hydroxypropyl]-4-(methoxycarbonyl)-1H-pyrrol-3-yl}propanoic acid |
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