 | | UMU | | Name: | 1-[[(2~{R},3~{S},4~{R},5~{R})-5-[8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]prop-1-ynyl]-6-azanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-3-ethyl-urea | | Formula: | C26 H32 N12 O8 | | SMILES: | CCNC(=O)NC[CH]1O[CH]([CH](O)[CH]1O)n2c(nc3c(N)ncnc23)C#CCOC[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56 | | InChi: | InChI=1S/C26H32N12O8/c1-2-29-26(43)30-6-11-16(39)19(42)25(45-11)38-13(36-15-21(28)32-9-34-23(15)38)4-3-5-44-7-12-17(40)18(41)24(46-12)37-10-35-14-20(27)31-8-33-22(14)37/h8-12,16-19,24-25,39-42H,2,5-7H2,1H3,(H2,27,31,33)(H2,28,32,34)(H2,29,30,43)/t11-,12-,16-,17-,18-,19-,24-,25-/m1/s1 | | Definition date: | 2023-09-06 | | Last modified: | 2025-03-14 | | Release date: | 2025-03-19 | | Identifier: | 1-[[(2~{R},3~{S},4~{R},5~{R})-5-[8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]prop-1-ynyl]-6-azanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-3-ethyl-urea |
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 | | WQN | | Name: | 1-[8-(4-bromophenyl)sulfonyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl]-2-chloranyl-ethanone | | Formula: | C14 H16 Br Cl N2 O4 S | | SMILES: | ClCC(=O)N1CC2(C1)CN(CCO2)[S](=O)(=O)c3ccc(Br)cc3 | | InChi: | InChI=1S/C14H16BrClN2O4S/c15-11-1-3-12(4-2-11)23(20,21)18-5-6-22-14(10-18)8-17(9-14)13(19)7-16/h1-4H,5-10H2 | | Definition date: | 2023-10-10 | | Last modified: | 2025-03-14 | | Release date: | 2025-03-19 | | Identifier: | 1-[8-(4-bromophenyl)sulfonyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl]-2-chloranyl-ethanone |
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 | | WQT | | Name: | 2-chloranyl-1-[8-(4-iodophenyl)sulfonyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl]ethanone | | Formula: | C14 H16 Cl I N2 O4 S | | SMILES: | ClCC(=O)N1CC2(C1)CN(CCO2)[S](=O)(=O)c3ccc(I)cc3 | | InChi: | InChI=1S/C14H16ClIN2O4S/c15-7-13(19)17-8-14(9-17)10-18(5-6-22-14)23(20,21)12-3-1-11(16)2-4-12/h1-4H,5-10H2 | | Definition date: | 2023-10-10 | | Last modified: | 2025-03-14 | | Release date: | 2025-03-19 | | Identifier: | 2-chloranyl-1-[8-(4-iodophenyl)sulfonyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl]ethanone |
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 | | UOL | | Name: | 1-[[(2~{R},3~{S},4~{R},5~{R})-5-[8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-methyl-amino]prop-1-ynyl]-6-azanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-3-ethyl-urea | | Formula: | C27 H35 N13 O7 | | SMILES: | CCNC(=O)NC[CH]1O[CH]([CH](O)[CH]1O)n2c(nc3c(N)ncnc23)C#CCN(C)C[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56 | | InChi: | InChI=1S/C27H35N13O7/c1-3-30-27(45)31-7-12-17(41)20(44)26(46-12)40-14(37-16-22(29)33-10-35-24(16)40)5-4-6-38(2)8-13-18(42)19(43)25(47-13)39-11-36-15-21(28)32-9-34-23(15)39/h9-13,17-20,25-26,41-44H,3,6-8H2,1-2H3,(H2,28,32,34)(H2,29,33,35)(H2,30,31,45)/t12-,13-,17-,18-,19-,20-,25-,26-/m1/s1 | | Definition date: | 2023-09-06 | | Last modified: | 2025-03-14 | | Release date: | 2025-03-19 | | Identifier: | 1-[[(2~{R},3~{S},4~{R},5~{R})-5-[8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-methyl-amino]prop-1-ynyl]-6-azanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-3-ethyl-urea |
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 | | V2Y | | Name: | ~{N}-[[(2~{R},3~{S},4~{R},5~{R})-5-[8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]prop-1-ynyl]-6-azanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-2-(2-azanyl-2-oxidanylidene-ethyl)benzamide | | Formula: | C32 H34 N12 O9 | | SMILES: | NC(=O)Cc1ccccc1C(=O)NC[CH]2O[CH]([CH](O)[CH]2O)n3c(nc4c(N)ncnc34)C#CCOC[CH]5O[CH]([CH](O)[CH]5O)n6cnc7c(N)ncnc67 | | InChi: | InChI=1S/C32H34N12O9/c33-18(45)8-14-4-1-2-5-15(14)30(50)36-9-16-22(46)25(49)32(52-16)44-19(42-21-27(35)38-12-40-29(21)44)6-3-7-51-10-17-23(47)24(48)31(53-17)43-13-41-20-26(34)37-11-39-28(20)43/h1-2,4-5,11-13,16-17,22-25,31-32,46-49H,7-10H2,(H2,33,45)(H,36,50)(H2,34,37,39)(H2,35,38,40)/t16-,17-,22-,23-,24-,25-,31-,32-/m1/s1 | | Definition date: | 2023-09-07 | | Last modified: | 2025-03-14 | | Release date: | 2025-03-19 | | Identifier: | ~{N}-[[(2~{R},3~{S},4~{R},5~{R})-5-[8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]prop-1-ynyl]-6-azanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-2-(2-azanyl-2-oxidanylidene-ethyl)benzamide |
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 | | UQF | | Name: | 1-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[3-[6-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]prop-2-ynyl]amino]propyl]guanidine | | Formula: | C27 H36 N14 O7 | | SMILES: | NC(=N)NCCCN(CC#Cc1nc2c(N)ncnc2n1[CH]3O[CH](CO)[CH](O)[CH]3O)C[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56 | | InChi: | InChI=1S/C27H36N14O7/c28-21-15-23(35-9-33-21)40(11-37-15)25-19(45)17(43)12(47-25)7-39(6-2-4-32-27(30)31)5-1-3-14-38-16-22(29)34-10-36-24(16)41(14)26-20(46)18(44)13(8-42)48-26/h9-13,17-20,25-26,42-46H,2,4-8H2,(H2,28,33,35)(H2,29,34,36)(H4,30,31,32)/t12-,13?,17+,18+,19+,20+,25-,26-/m0/s1 | | Definition date: | 2023-09-06 | | Last modified: | 2025-03-14 | | Release date: | 2025-03-19 | | Identifier: | 1-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[3-[6-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]prop-2-ynyl]amino]propyl]guanidine |
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 | | UTR | | Name: | 2-[[(2~{R},3~{S},4~{R},5~{R})-5-[8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]prop-1-ynyl]-6-azanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylcarbamoyl]benzoic acid | | Formula: | C31 H31 N11 O10 | | SMILES: | Nc1ncnc2n(cnc12)[CH]3O[CH](COCC#Cc4nc5c(N)ncnc5n4[CH]6O[CH](CNC(=O)c7ccccc7C(O)=O)[CH](O)[CH]6O)[CH](O)[CH]3O | | InChi: | InChI=1S/C31H31N11O10/c32-24-18-26(37-10-35-24)41(12-39-18)29-22(45)21(44)16(52-29)9-50-7-3-6-17-40-19-25(33)36-11-38-27(19)42(17)30-23(46)20(43)15(51-30)8-34-28(47)13-4-1-2-5-14(13)31(48)49/h1-2,4-5,10-12,15-16,20-23,29-30,43-46H,7-9H2,(H,34,47)(H,48,49)(H2,32,35,37)(H2,33,36,38)/t15-,16-,20-,21-,22-,23-,29-,30-/m1/s1 | | Definition date: | 2023-09-07 | | Last modified: | 2025-03-14 | | Release date: | 2025-03-19 | | Identifier: | 2-[[(2~{R},3~{S},4~{R},5~{R})-5-[8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]prop-1-ynyl]-6-azanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylcarbamoyl]benzoic acid |
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 | | UUC | | Name: | (2~{R},3~{R},4~{S},5~{R})-2-[8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]prop-1-ynyl]-6-azanyl-purin-9-yl]-5-[[[1,1-bis(oxidanyl)-1$l^{6}-thia-3-azabicyclo[1.1.0]butan-1-yl]amino]methyl]oxolane-3,4-diol | | Formula: | C25 H32 N12 O9 S | | SMILES: | Nc1ncnc2n(cnc12)[CH]3O[CH](COCC#Cc4nc5c(N)ncnc5n4[CH]6O[CH](CN[S]78(O)(O)CN7C8)[CH](O)[CH]6O)[CH](O)[CH]3O | | InChi: | InChI=1S/C25H32N12O9S/c26-20-14-22(30-6-28-20)36(8-32-14)24-18(40)17(39)12(46-24)5-44-3-1-2-13-34-15-21(27)29-7-31-23(15)37(13)25-19(41)16(38)11(45-25)4-33-47(42,43)9-35(47)10-47/h6-8,11-12,16-19,24-25,33,38-43H,3-5,9-10H2,(H2,26,28,30)(H2,27,29,31)/t11-,12-,16-,17-,18-,19-,24-,25-/m1/s1 | | Definition date: | 2023-09-07 | | Last modified: | 2025-03-14 | | Release date: | 2025-03-19 | | Identifier: | (2~{R},3~{R},4~{S},5~{R})-2-[8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]prop-1-ynyl]-6-azanyl-purin-9-yl]-5-[[[1,1-bis(oxidanyl)-1$l^{6}-thia-3-azabicyclo[1.1.0]butan-1-yl]amino]methyl]oxolane-3,4-diol |
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 | | UUO | | Name: | ~{N}-[[(2~{R},3~{S},4~{R},5~{R})-5-[8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-pent-4-ynyl-amino]prop-1-ynyl]-6-azanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-4-azanyl-butanamide | | Formula: | C32 H41 N13 O7 | | SMILES: | NCCCC(=O)NC[CH]1O[CH]([CH](O)[CH]1O)n2c(nc3c(N)ncnc23)C#CCN(CCCC#C)C[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56 | | InChi: | InChI=1S/C32H41N13O7/c1-2-3-4-10-43(13-18-24(48)25(49)31(52-18)44-16-41-21-27(34)37-14-39-29(21)44)11-6-7-19-42-22-28(35)38-15-40-30(22)45(19)32-26(50)23(47)17(51-32)12-36-20(46)8-5-9-33/h1,14-18,23-26,31-32,47-50H,3-5,8-13,33H2,(H,36,46)(H2,34,37,39)(H2,35,38,40)/t17-,18+,23-,24-,25-,26-,31+,32+/m1/s1 | | Definition date: | 2023-09-07 | | Last modified: | 2025-03-14 | | Release date: | 2025-03-19 | | Identifier: | ~{N}-[[(2~{R},3~{S},4~{R},5~{R})-5-[8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-pent-4-ynyl-amino]prop-1-ynyl]-6-azanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-4-azanyl-butanamide |
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 | | UV0 | | Name: | 1-[[(2~{R},3~{S},4~{R},5~{R})-5-[8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-methyl-amino]prop-1-ynyl]-6-azanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-3-naphthalen-1-yl-urea | | Formula: | C35 H37 N13 O7 | | SMILES: | CN(CC#Cc1nc2c(N)ncnc2n1[CH]3O[CH](CNC(=O)Nc4cccc5ccccc45)[CH](O)[CH]3O)C[CH]6O[CH]([CH](O)[CH]6O)n7cnc8c(N)ncnc78 | | InChi: | InChI=1S/C35H37N13O7/c1-46(13-21-26(50)27(51)33(55-21)47-16-43-23-29(36)39-14-41-31(23)47)11-5-10-22-45-24-30(37)40-15-42-32(24)48(22)34-28(52)25(49)20(54-34)12-38-35(53)44-19-9-4-7-17-6-2-3-8-18(17)19/h2-4,6-9,14-16,20-21,25-28,33-34,49-52H,11-13H2,1H3,(H2,36,39,41)(H2,37,40,42)(H2,38,44,53)/t20-,21-,25-,26-,27-,28-,33-,34-/m1/s1 | | Definition date: | 2023-09-07 | | Last modified: | 2025-03-14 | | Release date: | 2025-03-19 | | Identifier: | 1-[[(2~{R},3~{S},4~{R},5~{R})-5-[8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-methyl-amino]prop-1-ynyl]-6-azanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-3-naphthalen-1-yl-urea |
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 | | WK6 | | Name: | L-gamma-glutamyl-S-(benzylcarbamothioyl)-L-cysteinylglycine | | Formula: | C18 H24 N4 O6 S2 | | SMILES: | O=C(O)C(N)CCC(=O)NC(CSC(=S)NCc1ccccc1)C(=O)NCC(=O)O | | InChi: | InChI=1S/C18H24N4O6S2/c19-12(17(27)28)6-7-14(23)22-13(16(26)20-9-15(24)25)10-30-18(29)21-8-11-4-2-1-3-5-11/h1-5,12-13H,6-10,19H2,(H,20,26)(H,21,29)(H,22,23)(H,24,25)(H,27,28)/t12-,13+/m0/s1 | | Definition date: | 2023-10-05 | | Last modified: | 2025-03-14 | | Release date: | 2025-03-19 | | Identifier: | L-gamma-glutamyl-S-(benzylcarbamothioyl)-L-cysteinylglycine |
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 | | UDL | | Name: | (2~{S},3~{R})-2-acetamido-4-methyl-3-oxidanyl-pentanoic acid | | Formula: | C8 H15 N O4 | | SMILES: | CC(C)[CH](O)[CH](NC(C)=O)C(O)=O | | InChi: | InChI=1S/C8H15NO4/c1-4(2)7(11)6(8(12)13)9-5(3)10/h4,6-7,11H,1-3H3,(H,9,10)(H,12,13)/t6-,7+/m0/s1 | | Definition date: | 2023-09-04 | | Last modified: | 2025-03-14 | | Release date: | 2025-03-19 | | Identifier: | (2~{S},3~{R})-2-acetamido-4-methyl-3-oxidanyl-pentanoic acid |
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 | | CCJ | | Name: | Carboxymthylated D- Cysteine | | Formula: | C5 H9 N O4 S | | SMILES: | N[CH](CSCC(O)=O)C(O)=O | | InChi: | InChI=1S/C5H9NO4S/c6-3(5(9)10)1-11-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m1/s1 | | Definition date: | 2017-06-01 | | Last modified: | 2025-03-14 | | Release date: | 2025-03-19 | | Identifier: | (2~{S})-2-azanyl-3-(2-hydroxy-2-oxoethylsulfanyl)propanoic acid |
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 | | A1AHA | | Name: | TMC-95B | | Formula: | C33 H40 N6 O10 | | SMILES: | CCCNC(=O)[CH]1NC(=O)[CH](CC(N)=O)NC(=O)[CH](Cc2ccc(O)c(c2)c3cccc4c3NC(=O)[C]4(O)[CH]1O)NC(=O)C(=O)[CH](C)CC | | InChi: | InChI=1S/C33H40N6O10/c1-4-11-35-30(46)25-27(43)33(49)19-8-6-7-17(24(19)39-32(33)48)18-12-16(9-10-22(18)40)13-20(37-31(47)26(42)15(3)5-2)28(44)36-21(14-23(34)41)29(45)38-25/h6-10,12,15,20-21,25,27,40,43,49H,4-5,11,13-14H2,1-3H3,(H2,34,41)(H,35,46)(H,36,44)(H,37,47)(H,38,45)(H,39,48)/t15-,20-,21+,25+,27-,33-/m0/s1 | | Definition date: | 2024-03-06 | | Last modified: | 2025-03-14 | | Release date: | 2025-03-19 |
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 | | A1AIE | | Name: | N-{(4M)-4-[5-(aminomethyl)thiophen-2-yl]quinolin-8-yl}-4-[(propan-2-yl)oxy]benzamide | | Formula: | C24 H23 N3 O2 S | | SMILES: | NCc1ccc(s1)c1ccnc2c1cccc2NC(=O)c1ccc(OC(C)C)cc1 | | InChi: | InChI=1S/C24H23N3O2S/c1-15(2)29-17-8-6-16(7-9-17)24(28)27-21-5-3-4-20-19(12-13-26-23(20)21)22-11-10-18(14-25)30-22/h3-13,15H,14,25H2,1-2H3,(H,27,28) | | Definition date: | 2024-03-18 | | Last modified: | 2025-03-14 | | Release date: | 2025-03-19 | | Identifier: | N-{(4M)-4-[5-(aminomethyl)thiophen-2-yl]quinolin-8-yl}-4-[(propan-2-yl)oxy]benzamide |
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 | | A1AIF | | Name: | (5M)-5-{8-[({4-[(propan-2-yl)oxy]phenyl}methyl)amino]quinolin-4-yl}pyridine-2-carbonitrile | | Formula: | C25 H22 N4 O | | SMILES: | N#Cc1ccc(cn1)c1ccnc2c1cccc2NCc1ccc(OC(C)C)cc1 | | InChi: | InChI=1S/C25H22N4O/c1-17(2)30-21-10-6-18(7-11-21)15-29-24-5-3-4-23-22(12-13-27-25(23)24)19-8-9-20(14-26)28-16-19/h3-13,16-17,29H,15H2,1-2H3 | | Definition date: | 2024-03-18 | | Last modified: | 2025-03-14 | | Release date: | 2025-03-19 | | Identifier: | (5M)-5-{8-[({4-[(propan-2-yl)oxy]phenyl}methyl)amino]quinolin-4-yl}pyridine-2-carbonitrile |
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 | | A1AQX | | Name: | Camlipixant | | Formula: | C23 H24 F2 N4 O4 | | SMILES: | COC(=O)N1CC(Cc2c(nc3cc(C)ccn32)c2c(F)cc(cc2F)C(=O)NC)OCC1 | | InChi: | InChI=1S/C23H24F2N4O4/c1-13-4-5-29-18(11-15-12-28(6-7-33-15)23(31)32-3)21(27-19(29)8-13)20-16(24)9-14(10-17(20)25)22(30)26-2/h4-5,8-10,15H,6-7,11-12H2,1-3H3,(H,26,30)/t15-/m0/s1 | | Definition date: | 2024-05-08 | | Last modified: | 2025-03-14 | | Release date: | 2025-03-19 | | Identifier: | methyl (2S)-2-({(4R)-2-[2,6-difluoro-4-(methylcarbamoyl)phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl}methyl)morpholine-4-carboxylate |
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 | | A1A9B | | Name: | (10S,11R,12S,15S,18S)-15-(2-amino-2-oxoethyl)-10,11,23-trihydroxy-18-{[(3R)-3-methyl-2-oxopentanoyl]amino}-9,14,17-trioxo-N-[(1Z)-prop-1-en-1-yl]-8,13,16-triazatetracyclo[18.3.1.0(2,7).0(6,10)]tetracosa-1(24),2,4,6,20,22-hexaene-12-carboxamide | | Formula: | C33 H38 N6 O10 | | SMILES: | CC[CH](C)C(=O)C(=O)N[CH]1Cc2ccc(O)c(c2)c3cccc4c3NC(=O)[C]4(O)[CH](O)[CH](NC(=O)[CH](CC(N)=O)NC1=O)C(=O)NC=CC | | InChi: | InChI=1S/C33H38N6O10/c1-4-11-35-30(46)25-27(43)33(49)19-8-6-7-17(24(19)39-32(33)48)18-12-16(9-10-22(18)40)13-20(37-31(47)26(42)15(3)5-2)28(44)36-21(14-23(34)41)29(45)38-25/h4,6-12,15,20-21,25,27,40,43,49H,5,13-14H2,1-3H3,(H2,34,41)(H,35,46)(H,36,44)(H,37,47)(H,38,45)(H,39,48)/b11-4-/t15-,20+,21+,25+,27-,33+/m1/s1 | | Definition date: | 2024-09-23 | | Last modified: | 2025-03-14 | | Release date: | 2025-03-19 |
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 | | A1AEA | | Name: | palazestrant | | Formula: | C28 H36 F N3 O | | SMILES: | CCCN1CC(C1)Oc1ccc(cc1)C1c2[NH]c3ccccc3c2CC(C)N1CC(C)(C)F | | InChi: | InChI=1S/C28H36FN3O/c1-5-14-31-16-22(17-31)33-21-12-10-20(11-13-21)27-26-24(23-8-6-7-9-25(23)30-26)15-19(2)32(27)18-28(3,4)29/h6-13,19,22,27,30H,5,14-18H2,1-4H3/t19-,27-/m1/s1 | | Synonyms: | (1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1-{4-[(1-propylazetidin-3-yl)oxy]phenyl}-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole | | Definition date: | 2024-02-06 | | Last modified: | 2025-03-14 | | Release date: | 2025-03-19 | | Identifier: | (1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1-{4-[(1-propylazetidin-3-yl)oxy]phenyl}-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole |
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 | | A1EBD | | Name: | piperidine-4-sulfonic acid | | Formula: | C5 H11 N O3 S | | SMILES: | O[S](=O)(=O)C1CCNCC1 | | InChi: | InChI=1S/C5H11NO3S/c7-10(8,9)5-1-3-6-4-2-5/h5-6H,1-4H2,(H,7,8,9) | | Definition date: | 2024-09-02 | | Last modified: | 2025-03-14 | | Release date: | 2025-03-19 | | Identifier: | piperidine-4-sulfonic acid |
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 | | KN6 | | Name: | 4-THIOPYRIDINE | | Formula: | C5 H5 N S | | SMILES: | Sc1ccncc1 | | InChi: | InChI=1S/C5H5NS/c7-5-1-3-6-4-2-5/h1-4H,(H,6,7) | | Synonyms: | pyridine-4-thiol | | Definition date: | 2024-01-22 | | Last modified: | 2025-03-14 | | Release date: | 2025-03-19 | | Identifier: | pyridine-4-thiol |
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 | | A1H5Q | | Name: | 6-[[2-[1-(6-methoxy-1,5-naphthyridin-4-yl)-1,2,3-triazol-4-yl]ethylamino]methyl]-4H-1,4-benzothiazin-3-one | | Formula: | C22 H21 N7 O2 S | | SMILES: | COc1ccc2nccc(n3cc(CCNCc4ccc5SCC(=O)Nc5c4)nn3)c2n1 | | InChi: | InChI=1S/C22H21N7O2S/c1-31-21-5-3-16-22(26-21)18(7-9-24-16)29-12-15(27-28-29)6-8-23-11-14-2-4-19-17(10-14)25-20(30)13-32-19/h2-5,7,9-10,12,23H,6,8,11,13H2,1H3,(H,25,30) | | Definition date: | 2024-03-05 | | Last modified: | 2025-03-14 | | Release date: | 2025-03-19 | | Identifier: | 6-[[2-[1-(6-methoxy-1,5-naphthyridin-4-yl)-1,2,3-triazol-4-yl]ethylamino]methyl]-4~{H}-1,4-benzothiazin-3-one |
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 | | A1H8X | | Name: | 4-fluoranyl-~{N}-[(2~{S})-1-[[4-[(2-methyl-1-oxidanyl-propan-2-yl)sulfamoyl]phenyl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]benzamide | | Formula: | C26 H28 F N3 O5 S | | SMILES: | CC(C)(CO)N[S](=O)(=O)c1ccc(NC(=O)[CH](Cc2ccccc2)NC(=O)c3ccc(F)cc3)cc1 | | InChi: | InChI=1S/C26H28FN3O5S/c1-26(2,17-31)30-36(34,35)22-14-12-21(13-15-22)28-25(33)23(16-18-6-4-3-5-7-18)29-24(32)19-8-10-20(27)11-9-19/h3-15,23,30-31H,16-17H2,1-2H3,(H,28,33)(H,29,32) | | Synonyms: | NK036 USP30 inhibitor | | Definition date: | 2024-04-20 | | Last modified: | 2025-03-14 | | Release date: | 2025-03-19 | | Identifier: | 4-fluoranyl-~{N}-[(2~{S})-1-[[4-[(2-methyl-1-oxidanyl-propan-2-yl)sulfamoyl]phenyl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]benzamide |
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 | | A1ITU | | Name: | (4S)-4-[(1R)-2-[2-(3-methoxyphenyl)propan-2-ylamino]-1-oxidanyl-ethyl]-16-propyl-3,16-diazatricyclo[16.3.1.1^{6,10}]tricosa-1(21),6,8,10(23),18(22),19-hexaene-2,17-dione | | Formula: | C36 H47 N3 O4 | | SMILES: | CCCN1CCCCCc2cccc(C[CH](NC(=O)c3cccc(c3)C1=O)[CH](O)CNC(C)(C)c4cccc(OC)c4)c2 | | InChi: | InChI=1S/C36H47N3O4/c1-5-19-39-20-8-6-7-12-26-13-9-14-27(21-26)22-32(38-34(41)28-15-10-16-29(23-28)35(39)42)33(40)25-37-36(2,3)30-17-11-18-31(24-30)43-4/h9-11,13-18,21,23-24,32-33,37,40H,5-8,12,19-20,22,25H2,1-4H3,(H,38,41)/t32-,33+/m0/s1 | | Definition date: | 2024-11-12 | | Last modified: | 2025-03-14 | | Release date: | 2025-03-19 | | Identifier: | (4~{S})-4-[(1~{R})-2-[2-(3-methoxyphenyl)propan-2-ylamino]-1-oxidanyl-ethyl]-16-propyl-3,16-diazatricyclo[16.3.1.1^{6,10}]tricosa-1(21),6,8,10(23),18(22),19-hexaene-2,17-dione |
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 | | A1IUG | | Name: | 1-[azanyl-oxidanylidene-[2-(2-oxidanylpropan-2-yl)-1,3-thiazol-5-yl]-$l^{6}-sulfanylidene]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea | | Formula: | C19 H24 N4 O3 S2 | | SMILES: | CC(C)(O)c1sc(cn1)[S](N)(=O)=NC(=O)Nc2c3CCCc3cc4CCCc24 | | InChi: | InChI=1S/C19H24N4O3S2/c1-19(2,25)17-21-10-15(27-17)28(20,26)23-18(24)22-16-13-7-3-5-11(13)9-12-6-4-8-14(12)16/h9-10,25H,3-8H2,1-2H3,(H3,20,22,23,24,26)/t28-/m1/s1 | | Synonyms: | DFV890 | | Definition date: | 2024-11-19 | | Last modified: | 2025-03-14 | | Release date: | 2025-03-19 | | Identifier: | 1-[azanyl-oxidanylidene-[2-(2-oxidanylpropan-2-yl)-1,3-thiazol-5-yl]-$l^{6}-sulfanylidene]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea |
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