 | | KKX | | Name: | (2~{S},5~{S},6~{S})-2-acetamido-6-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-5,7-bis(oxidanyl)heptanoic acid | | Formula: | C17 H28 N3 O10 P | | SMILES: | CC(=O)N[CH](CC[CH](O)[CH](CO)NCc1c(O)c(C)ncc1CO[P](O)(O)=O)C(O)=O | | InChi: | InChI=1S/C17H28N3O10P/c1-9-16(24)12(11(5-18-9)8-30-31(27,28)29)6-19-14(7-21)15(23)4-3-13(17(25)26)20-10(2)22/h5,13-15,19,21,23-24H,3-4,6-8H2,1-2H3,(H,20,22)(H,25,26)(H2,27,28,29)/t13-,14-,15-/m0/s1 | | Synonyms: | PLP-(5S,6S)-N2-acetyl-DADH | | Definition date: | 2022-09-27 | | Last modified: | 2023-02-17 | | Release date: | 2023-02-22 | | Identifier: | (2~{S},5~{S},6~{S})-2-acetamido-6-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-5,7-bis(oxidanyl)heptanoic acid |
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 | | WZZ | | Name: | (1R,3S)-3-{3-[(pyridin-2-yl)amino]-1H-pyrazol-5-yl}cyclopentyl propan-2-ylcarbamate | | Formula: | C17 H23 N5 O2 | | SMILES: | CC(C)NC(=O)OC1CCC(C1)c1cc(Nc2ncccc2)n[NH]1 | | InChi: | InChI=1S/C17H23N5O2/c1-11(2)19-17(23)24-13-7-6-12(9-13)14-10-16(22-21-14)20-15-5-3-4-8-18-15/h3-5,8,10-13H,6-7,9H2,1-2H3,(H,19,23)(H2,18,20,21,22)/t12-,13+/m0/s1 | | Definition date: | 2022-10-25 | | Last modified: | 2023-02-17 | | Release date: | 2023-02-22 | | Identifier: | (1R,3S)-3-{3-[(pyridin-2-yl)amino]-1H-pyrazol-5-yl}cyclopentyl propan-2-ylcarbamate |
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 | | UQH | | Name: | (2R,3R,4R,5S)-1-(6-{[(5M)-3-cyclopropyl-5-(pyridazin-3-yl)phenyl]amino}hexyl)-2-(hydroxymethyl)piperidine-3,4,5-triol | | Formula: | C25 H36 N4 O4 | | SMILES: | OCC1C(O)C(O)C(O)CN1CCCCCCNc1cc(cc(c1)C1CC1)c1cccnn1 | | InChi: | InChI=1S/C25H36N4O4/c30-16-22-24(32)25(33)23(31)15-29(22)11-4-2-1-3-9-26-20-13-18(17-7-8-17)12-19(14-20)21-6-5-10-27-28-21/h5-6,10,12-14,17,22-26,30-33H,1-4,7-9,11,15-16H2/t22-,23+,24-,25-/m1/s1 | | Definition date: | 2022-08-23 | | Last modified: | 2023-02-17 | | Release date: | 2023-02-22 | | Identifier: | (2R,3R,4R,5S)-1-(6-{[(5M)-3-cyclopropyl-5-(pyridazin-3-yl)phenyl]amino}hexyl)-2-(hydroxymethyl)piperidine-3,4,5-triol |
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 | | WJF | | Name: | (2R,3R,4R,5S)-1-{2-[4-(2-{[(5M)-3-chloro-5-(1,2,4-oxadiazol-3-yl)phenyl]amino}ethyl)phenyl]ethyl}-2-(hydroxymethyl)piperidine-3,4,5-triol | | Formula: | C24 H29 Cl N4 O5 | | SMILES: | OCC1C(O)C(O)C(O)CN1CCc1ccc(cc1)CCNc1cc(Cl)cc(c1)c1ncon1 | | InChi: | InChI=1S/C24H29ClN4O5/c25-18-9-17(24-27-14-34-28-24)10-19(11-18)26-7-5-15-1-3-16(4-2-15)6-8-29-12-21(31)23(33)22(32)20(29)13-30/h1-4,9-11,14,20-23,26,30-33H,5-8,12-13H2/t20-,21+,22-,23-/m1/s1 | | Definition date: | 2022-09-14 | | Last modified: | 2023-02-17 | | Release date: | 2023-02-22 | | Identifier: | (2R,3R,4R,5S)-1-{2-[4-(2-{[(5M)-3-chloro-5-(1,2,4-oxadiazol-3-yl)phenyl]amino}ethyl)phenyl]ethyl}-2-(hydroxymethyl)piperidine-3,4,5-triol |
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 | | XG5 | | Name: | (2R,3R,4R,5S)-1-(2-{6-[2-(4-azido-2-nitroanilino)ethyl]pyrazin-2-yl}ethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol | | Formula: | C20 H26 N8 O6 | | SMILES: | [O-][N+](=O)c1cc(N=[N+]=[N-])ccc1NCCc1cncc(CCN2CC(O)C(O)C(O)C2CO)n1 | | InChi: | InChI=1S/C20H26N8O6/c21-26-25-12-1-2-15(16(7-12)28(33)34)23-5-3-13-8-22-9-14(24-13)4-6-27-10-18(30)20(32)19(31)17(27)11-29/h1-2,7-9,17-20,23,29-32H,3-6,10-11H2/t17-,18+,19-,20-/m1/s1 | | Definition date: | 2022-11-15 | | Last modified: | 2023-02-17 | | Release date: | 2023-02-22 | | Identifier: | (2R,3R,4R,5S)-1-(2-{6-[2-(4-azido-2-nitroanilino)ethyl]pyrazin-2-yl}ethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol |
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 | | WJO | | Name: | (2R,3R,4R,5S)-2-(hydroxymethyl)-1-[(4-{[4-(morpholin-4-yl)anilino]methyl}phenyl)methyl]piperidine-3,4,5-triol | | Formula: | C24 H33 N3 O5 | | SMILES: | OCC1C(O)C(O)C(O)CN1Cc1ccc(cc1)CNc1ccc(cc1)N1CCOCC1 | | InChi: | InChI=1S/C24H33N3O5/c28-16-21-23(30)24(31)22(29)15-27(21)14-18-3-1-17(2-4-18)13-25-19-5-7-20(8-6-19)26-9-11-32-12-10-26/h1-8,21-25,28-31H,9-16H2/t21-,22+,23-,24-/m1/s1 | | Definition date: | 2022-09-15 | | Last modified: | 2023-02-17 | | Release date: | 2023-02-22 | | Identifier: | (2R,3R,4R,5S)-2-(hydroxymethyl)-1-[(4-{[4-(morpholin-4-yl)anilino]methyl}phenyl)methyl]piperidine-3,4,5-triol |
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 | | XGE | | Name: | alpha-TERPINEOL | | Formula: | C10 H18 O | | SMILES: | CC1=CCC(CC1)C(O)(C)C | | InChi: | InChI=1S/C10H18O/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9,11H,5-7H2,1-3H3/t9-/m1/s1 | | Synonyms: | 2-[(1S)-4-methylcyclohex-3-en-1-yl]propan-2-ol | | Definition date: | 2022-10-19 | | Last modified: | 2023-02-17 | | Release date: | 2023-02-22 | | Identifier: | 2-[(1S)-4-methylcyclohex-3-en-1-yl]propan-2-ol |
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 | | WJT | | Name: | (2R,3R,4R,5S)-2-(hydroxymethyl)-1-{[4-({[(5P)-3-(methanesulfonyl)-5-(pyridazin-3-yl)phenyl]amino}methyl)phenyl]methyl}piperidine-3,4,5-triol | | Formula: | C25 H30 N4 O6 S | | SMILES: | CS(=O)(=O)c1cc(cc(c1)NCc1ccc(cc1)CN1CC(O)C(O)C(O)C1CO)c1cccnn1 | | InChi: | InChI=1S/C25H30N4O6S/c1-36(34,35)20-10-18(21-3-2-8-27-28-21)9-19(11-20)26-12-16-4-6-17(7-5-16)13-29-14-23(31)25(33)24(32)22(29)15-30/h2-11,22-26,30-33H,12-15H2,1H3/t22-,23+,24-,25-/m1/s1 | | Definition date: | 2022-09-16 | | Last modified: | 2023-02-17 | | Release date: | 2023-02-22 | | Identifier: | (2R,3R,4R,5S)-2-(hydroxymethyl)-1-{[4-({[(5P)-3-(methanesulfonyl)-5-(pyridazin-3-yl)phenyl]amino}methyl)phenyl]methyl}piperidine-3,4,5-triol |
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 | | UF6 | | Name: | (2S,3S,4S,5R)-2-(hydroxymethyl)-1-{6-[3-nitro-5-(pyridin-4-yl)anilino]hexyl}piperidine-3,4,5-triol | | Formula: | C23 H32 N4 O6 | | SMILES: | [O-][N+](=O)c1cc(cc(c1)NCCCCCCN1CC(O)C(O)C(O)C1CO)c1ccncc1 | | InChi: | InChI=1S/C23H32N4O6/c28-15-20-22(30)23(31)21(29)14-26(20)10-4-2-1-3-7-25-18-11-17(12-19(13-18)27(32)33)16-5-8-24-9-6-16/h5-6,8-9,11-13,20-23,25,28-31H,1-4,7,10,14-15H2/t20-,21+,22-,23-/m0/s1 | | Definition date: | 2022-08-18 | | Last modified: | 2023-02-17 | | Release date: | 2023-02-22 | | Identifier: | (2S,3S,4S,5R)-2-(hydroxymethyl)-1-{6-[3-nitro-5-(pyridin-4-yl)anilino]hexyl}piperidine-3,4,5-triol |
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 | | WLQ | | Name: | (2R,3R,4R,5S)-2-(hydroxymethyl)-1-{[4-({[(5P)-3-methyl-5-(pyridazin-3-yl)phenyl]amino}methyl)phenyl]methyl}piperidine-3,4,5-triol | | Formula: | C25 H30 N4 O4 | | SMILES: | Cc1cc(cc(c1)NCc1ccc(cc1)CN1CC(O)C(O)C(O)C1CO)c1cccnn1 | | InChi: | InChI=1S/C25H30N4O4/c1-16-9-19(21-3-2-8-27-28-21)11-20(10-16)26-12-17-4-6-18(7-5-17)13-29-14-23(31)25(33)24(32)22(29)15-30/h2-11,22-26,30-33H,12-15H2,1H3/t22-,23+,24-,25-/m1/s1 | | Definition date: | 2022-09-28 | | Last modified: | 2023-02-17 | | Release date: | 2023-02-22 | | Identifier: | (2R,3R,4R,5S)-2-(hydroxymethyl)-1-{[4-({[(5P)-3-methyl-5-(pyridazin-3-yl)phenyl]amino}methyl)phenyl]methyl}piperidine-3,4,5-triol |
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 | | X2U | | Name: | N-(3-{4-[3-({2-[(3R)-2,6-dioxopiperidin-3-yl]-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl}amino)propoxy]butoxy}propyl)-4-sulfamoylbenzamide | | Formula: | C30 H37 N5 O9 S | | SMILES: | NS(=O)(=O)c1ccc(cc1)C(=O)NCCCOCCCCOCCCNc1cccc2C(=O)N(C(=O)c21)C1CCC(=O)NC1=O | | InChi: | InChI=1S/C30H37N5O9S/c31-45(41,42)21-10-8-20(9-11-21)27(37)33-15-5-19-44-17-2-1-16-43-18-4-14-32-23-7-3-6-22-26(23)30(40)35(29(22)39)24-12-13-25(36)34-28(24)38/h3,6-11,24,32H,1-2,4-5,12-19H2,(H,33,37)(H2,31,41,42)(H,34,36,38)/t24-/m1/s1 | | Definition date: | 2022-10-26 | | Last modified: | 2023-02-17 | | Release date: | 2023-02-22 | | Identifier: | N-(3-{4-[3-({2-[(3R)-2,6-dioxopiperidin-3-yl]-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl}amino)propoxy]butoxy}propyl)-4-sulfamoylbenzamide |
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 | | WM0 | | Name: | (2R,3R,4R,5S)-2-(hydroxymethyl)-1-{[4-({2-nitro-4-[(1R,5S)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl]anilino}methyl)phenyl]methyl}piperidine-3,4,5-triol | | Formula: | C26 H34 N4 O7 | | SMILES: | OCC1C(O)C(O)C(O)CN1Cc1ccc(cc1)CNc1ccc(cc1[N+]([O-])=O)N1C2CCC1COC2 | | InChi: | InChI=1S/C26H34N4O7/c31-13-23-25(33)26(34)24(32)12-28(23)11-17-3-1-16(2-4-17)10-27-21-8-7-18(9-22(21)30(35)36)29-19-5-6-20(29)15-37-14-19/h1-4,7-9,19-20,23-27,31-34H,5-6,10-15H2/t19-,20+,23-,24+,25-,26-/m1/s1 | | Definition date: | 2022-09-28 | | Last modified: | 2023-02-17 | | Release date: | 2023-02-22 | | Identifier: | (2R,3R,4R,5S)-2-(hydroxymethyl)-1-{[4-({2-nitro-4-[(1R,5S)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl]anilino}methyl)phenyl]methyl}piperidine-3,4,5-triol |
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 | | X38 | | Name: | (4S)-5-amino-4-{1,3-dioxo-4-[(2-{2-[2-(4-sulfamoylbenzamido)ethoxy]ethoxy}ethyl)amino]-1,3-dihydro-2H-isoindol-2-yl}-5-oxopentanoic acid | | Formula: | C26 H31 N5 O10 S | | SMILES: | NS(=O)(=O)c1ccc(cc1)C(=O)NCCOCCOCCNc1cccc2C(=O)N(C(=O)c21)C(CCC(=O)O)C(N)=O | | InChi: | InChI=1S/C26H31N5O10S/c27-23(34)20(8-9-21(32)33)31-25(36)18-2-1-3-19(22(18)26(31)37)29-10-12-40-14-15-41-13-11-30-24(35)16-4-6-17(7-5-16)42(28,38)39/h1-7,20,29H,8-15H2,(H2,27,34)(H,30,35)(H,32,33)(H2,28,38,39)/t20-/m0/s1 | | Definition date: | 2022-10-26 | | Last modified: | 2023-02-17 | | Release date: | 2023-02-22 | | Identifier: | (4S)-5-amino-4-{1,3-dioxo-4-[(2-{2-[2-(4-sulfamoylbenzamido)ethoxy]ethoxy}ethyl)amino]-1,3-dihydro-2H-isoindol-2-yl}-5-oxopentanoic acid |
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 | | UU6 | | Name: | (1S)-1-[(1P)-1-{6-[(3R)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]pyrimidin-4-yl}-1H-indazol-6-yl]spiro[2.2]pentane-1-carbonitrile | | Formula: | C24 H26 N6 O | | SMILES: | CC(C)(O)C1CCN(C1)c1cc(ncn1)n1ncc2ccc(cc21)C1(C#N)CC21CC2 | | InChi: | InChI=1S/C24H26N6O/c1-22(2,31)18-5-8-29(12-18)20-10-21(27-15-26-20)30-19-9-17(4-3-16(19)11-28-30)24(14-25)13-23(24)6-7-23/h3-4,9-11,15,18,31H,5-8,12-13H2,1-2H3/t18-,24-/m1/s1 | | Definition date: | 2022-08-26 | | Last modified: | 2023-02-17 | | Release date: | 2023-02-22 | | Identifier: | (1S)-1-[(1P)-1-{6-[(3R)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]pyrimidin-4-yl}-1H-indazol-6-yl]spiro[2.2]pentane-1-carbonitrile |
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 | | UUF | | Name: | 2-[(1r,4r)-2-{(6P)-6-[(6M)-6-(1H-pyrazol-5-yl)-1H-indazol-1-yl]pyrimidin-4-yl}-2-azabicyclo[2.1.1]hexan-4-yl]propan-2-ol | | Formula: | C22 H23 N7 O | | SMILES: | CC(C)(O)C12CC(C1)N(C2)c1cc(ncn1)n1ncc2ccc(cc12)c1ccn[NH]1 | | InChi: | InChI=1S/C22H23N7O/c1-21(2,30)22-9-16(10-22)28(12-22)19-8-20(24-13-23-19)29-18-7-14(17-5-6-25-27-17)3-4-15(18)11-26-29/h3-8,11,13,16,30H,9-10,12H2,1-2H3,(H,25,27)/t16-,22- | | Definition date: | 2022-08-26 | | Last modified: | 2023-02-17 | | Release date: | 2023-02-22 | | Identifier: | 2-[(1r,4r)-2-{(6P)-6-[(6M)-6-(1H-pyrazol-5-yl)-1H-indazol-1-yl]pyrimidin-4-yl}-2-azabicyclo[2.1.1]hexan-4-yl]propan-2-ol |
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 | | UGO | | Name: | (2R,3R,4R,5S)-2-(hydroxymethyl)-1-{6-[2-nitro-4-(pyrimidin-2-yl)anilino]hexyl}piperidine-3,4,5-triol | | Formula: | C22 H32 N5 O6 | | SMILES: | O=N(=O)c1cc(ccc1NCCCCCCN1CC(O)C(O)C(O)C1CO)c1ncccn1 | | InChi: | InChI=1S/C22H32N5O6/c28-14-18-20(30)21(31)19(29)13-26(18)11-4-2-1-3-8-23-16-7-6-15(12-17(16)27(32)33)22-24-9-5-10-25-22/h5-7,9-10,12,18-21,23,28-32H,1-4,8,11,13-14H2/t18-,19+,20-,21-/m1/s1 | | Definition date: | 2022-08-18 | | Last modified: | 2023-02-17 | | Release date: | 2023-02-22 | | Identifier: | (2R,3R,4R,5S)-2-(hydroxymethyl)-1-{6-[2-nitro-4-(pyrimidin-2-yl)anilino]hexyl}piperidine-3,4,5-triol |
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 | | X5B | | Name: | (2R,3R,4R,5S)-1-{2-[4-(2-{[(5M)-3-chloro-5-(pyridazin-3-yl)phenyl]amino}ethyl)phenyl]ethyl}-2-(hydroxymethyl)piperidine-3,4,5-triol | | Formula: | C26 H31 Cl N4 O4 | | SMILES: | Clc1cc(cc(c1)NCCc1ccc(CCN2CC(O)C(O)C(O)C2CO)cc1)c1cccnn1 | | InChi: | InChI=1S/C26H31ClN4O4/c27-20-12-19(22-2-1-9-29-30-22)13-21(14-20)28-10-7-17-3-5-18(6-4-17)8-11-31-15-24(33)26(35)25(34)23(31)16-32/h1-6,9,12-14,23-26,28,32-35H,7-8,10-11,15-16H2/t23-,24+,25-,26-/m1/s1 | | Definition date: | 2022-10-27 | | Last modified: | 2023-02-17 | | Release date: | 2023-02-22 | | Identifier: | (2R,3R,4R,5S)-1-{2-[4-(2-{[(5M)-3-chloro-5-(pyridazin-3-yl)phenyl]amino}ethyl)phenyl]ethyl}-2-(hydroxymethyl)piperidine-3,4,5-triol |
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 | | X5F | | Name: | 2-[[(2~{R})-1-azanyl-5-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]carbamoyl]-6-[2-[2-[(4-sulfamoylphenyl)carbonylamino]ethoxy]ethylamino]benzoic acid | | Formula: | C24 H29 N5 O10 S | | SMILES: | O=S(N)(=O)c1ccc(cc1)C(=O)NCCOCCNc1cccc(C(=O)NC(CCC(=O)O)C(N)=O)c1C(=O)O | | InChi: | InChI=1S/C24H29N5O10S/c25-21(32)18(8-9-19(30)31)29-23(34)16-2-1-3-17(20(16)24(35)36)27-10-12-39-13-11-28-22(33)14-4-6-15(7-5-14)40(26,37)38/h1-7,18,27H,8-13H2,(H2,25,32)(H,28,33)(H,29,34)(H,30,31)(H,35,36)(H2,26,37,38)/t18-/m1/s1 | | Definition date: | 2022-10-28 | | Last modified: | 2023-02-17 | | Release date: | 2023-02-22 | | Identifier: | 2-{[(2R)-1-amino-4-carboxy-1-oxobutan-2-yl]carbamoyl}-6-({2-[2-(4-sulfamoylbenzamido)ethoxy]ethyl}amino)benzoic acid (non-preferred name) |
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 | | UIJ | | Name: | (2R,3R,4R,5S)-2-(hydroxymethyl)-1-(6-{[(4P)-4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-nitrophenyl]amino}hexyl)piperidine-3,4,5-triol | | Formula: | C21 H31 N5 O7 | | SMILES: | OCC1C(O)C(O)C(O)CN1CCCCCCNc1ccc(cc1[N+]([O-])=O)c1nc(C)on1 | | InChi: | InChI=1S/C21H31N5O7/c1-13-23-21(24-33-13)14-6-7-15(16(10-14)26(31)32)22-8-4-2-3-5-9-25-11-18(28)20(30)19(29)17(25)12-27/h6-7,10,17-20,22,27-30H,2-5,8-9,11-12H2,1H3/t17-,18+,19-,20-/m1/s1 | | Definition date: | 2022-08-19 | | Last modified: | 2023-02-17 | | Release date: | 2023-02-22 | | Identifier: | (2R,3R,4R,5S)-2-(hydroxymethyl)-1-(6-{[(4P)-4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-nitrophenyl]amino}hexyl)piperidine-3,4,5-triol |
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 | | UIO | | Name: | (2R,3R,4R,5S)-2-(hydroxymethyl)-1-[6-({(4M)-4-[2-(morpholin-4-yl)pyrimidin-4-yl]-2-nitrophenyl}amino)hexyl]piperidine-3,4,5-triol | | Formula: | C26 H38 N6 O7 | | SMILES: | OCC1C(O)C(O)C(O)CN1CCCCCCNc1ccc(cc1[N+]([O-])=O)c1nc(ncc1)N1CCOCC1 | | InChi: | InChI=1S/C26H38N6O7/c33-17-22-24(35)25(36)23(34)16-31(22)10-4-2-1-3-8-27-20-6-5-18(15-21(20)32(37)38)19-7-9-28-26(29-19)30-11-13-39-14-12-30/h5-7,9,15,22-25,27,33-36H,1-4,8,10-14,16-17H2/t22-,23+,24-,25-/m1/s1 | | Definition date: | 2022-08-19 | | Last modified: | 2023-02-17 | | Release date: | 2023-02-22 | | Identifier: | (2R,3R,4R,5S)-2-(hydroxymethyl)-1-[6-({(4M)-4-[2-(morpholin-4-yl)pyrimidin-4-yl]-2-nitrophenyl}amino)hexyl]piperidine-3,4,5-triol |
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 | | WQU | | Name: | (2R,3R,4R,5S)-2-(hydroxymethyl)-1-[(3-{[4-(morpholin-4-yl)-2-nitroanilino]methyl}phenyl)methyl]piperidine-3,4,5-triol | | Formula: | C24 H32 N4 O7 | | SMILES: | OCC1C(O)C(O)C(O)CN1Cc1cccc(c1)CNc1ccc(cc1[N+]([O-])=O)N1CCOCC1 | | InChi: | InChI=1S/C24H32N4O7/c29-15-21-23(31)24(32)22(30)14-27(21)13-17-3-1-2-16(10-17)12-25-19-5-4-18(11-20(19)28(33)34)26-6-8-35-9-7-26/h1-5,10-11,21-25,29-32H,6-9,12-15H2/t21-,22+,23-,24-/m1/s1 | | Definition date: | 2022-10-14 | | Last modified: | 2023-02-17 | | Release date: | 2023-02-22 | | Identifier: | (2R,3R,4R,5S)-2-(hydroxymethyl)-1-[(3-{[4-(morpholin-4-yl)-2-nitroanilino]methyl}phenyl)methyl]piperidine-3,4,5-triol |
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 | | WQZ | | Name: | (3P)-3-(5,6-dihydro-1,4-dioxin-2-yl)-5-{[(3-{[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]methyl}phenyl)methyl]amino}benzonitrile | | Formula: | C25 H29 N3 O6 | | SMILES: | OCC1C(O)C(O)C(O)CN1Cc1cccc(c1)CNc1cc(cc(C#N)c1)C1=COCCO1 | | InChi: | InChI=1S/C25H29N3O6/c26-10-18-7-19(23-15-33-4-5-34-23)9-20(8-18)27-11-16-2-1-3-17(6-16)12-28-13-22(30)25(32)24(31)21(28)14-29/h1-3,6-9,15,21-22,24-25,27,29-32H,4-5,11-14H2/t21-,22+,24-,25-/m1/s1 | | Definition date: | 2022-10-14 | | Last modified: | 2023-02-17 | | Release date: | 2023-02-22 | | Identifier: | (3P)-3-(5,6-dihydro-1,4-dioxin-2-yl)-5-{[(3-{[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]methyl}phenyl)methyl]amino}benzonitrile |
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 | | LB9 | | Name: | 5-azaniumylpentylazanium | | Formula: | C5 H16 N2 | | SMILES: | [NH3+]CCCCC[NH3+] | | InChi: | InChI=1S/C5H14N2/c6-4-2-1-3-5-7/h1-7H2/p+2 | | Synonyms: | cadaverine (protonated) | | Definition date: | 2022-06-29 | | Last modified: | 2023-02-17 | | Release date: | 2023-02-22 | | Identifier: | 5-azaniumylpentylazanium |
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 | | K3R | | Name: | ~{N}-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-6-[7-(3-pyrrolidin-1-ylpropoxy)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine | | Formula: | C29 H32 N8 O | | SMILES: | Cn1cc(cn1)c2ccc(CNc3cc(ncn3)c4cnc5cc(OCCCN6CCCC6)ccn45)cc2 | | InChi: | InChI=1S/C29H32N8O/c1-35-20-24(18-34-35)23-7-5-22(6-8-23)17-30-28-16-26(32-21-33-28)27-19-31-29-15-25(9-13-37(27)29)38-14-4-12-36-10-2-3-11-36/h5-9,13,15-16,18-21H,2-4,10-12,14,17H2,1H3,(H,30,32,33) | | Synonyms: | [4-(1-Methyl-1H-pyrazol-4-yl)-benzyl]-{6-[7-(3-pyrrolidin-1-yl-propoxy)-imidazo[1,2-a]pyridin-3-yl]-pyrimidin-4-yl}-amine | | Definition date: | 2022-05-19 | | Last modified: | 2023-02-17 | | Release date: | 2023-02-22 | | Identifier: | ~{N}-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-6-[7-(3-pyrrolidin-1-ylpropoxy)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine |
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 | | 884 | | Name: | 4,4'-(1H-indole-2,6-diyl)dibenzenecarboximidamide | | Formula: | C22 H19 N5 | | SMILES: | [N@H]=C(N)c4ccc(c1ccc2c(c1)nc(c2)c3ccc(C(=[N@H])N)cc3)cc4 | | InChi: | InChI=1S/C22H19N5/c23-21(24)15-5-1-13(2-6-15)17-9-10-18-12-19(27-20(18)11-17)14-3-7-16(8-4-14)22(25)26/h1-12,27H,(H3,23,24)(H3,25,26) | | Definition date: | 2011-04-26 | | Last modified: | 2023-02-17 | | Release date: | 2023-02-22 | | Identifier: | 4,4'-(1H-indole-2,6-diyl)dibenzenecarboximidamide |
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